PubChemLite - N-[2-[[n-[n-[8-[[n-[n-(2-aminoethyl)carbamimidoyl]carbamimidoyl]amino]octyl]carbamimidoyl]carbamimidoyl]amino]ethyl]-1-cyano-formamidine (C18H38N14)

Structural Information

Molecular Formula

SMILES

C(CCCCN=C(N)NC(=NCCN=C(C#N)N)N)CCCN=C(N)NC(=NCCN)N

InChI

InChI=1S/C18H38N14/c19-7-10-29-17(24)31-15(22)27-8-5-3-1-2-4-6-9-28-16(23)32-18(25)30-12-11-26-14(21)13-20/h1-12,19H2,(H2,21,26)(H5,22,24,27,29,31)(H5,23,25,28,30,32)

InChIKey

VZHGBOXJSZOGCM-UHFFFAOYSA-N

Compound name

N'-[2-[[amino-[[N'-[8-[[amino-[[N'-(2-aminoethyl)carbamimidoyl]amino]methylidene]amino]octyl]carbamimidoyl]amino]methylidene]amino]ethyl]-1-cyanomethanimidamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	451.34768	202.1
[M+Na]+	473.32962	198.2
[M-H]-	449.33312	203.7
[M+NH4]+	468.37422	219.6
[M+K]+	489.30356	204.0
[M+H-H2O]+	433.33766	183.3
[M+HCOO]-	495.33860	210.2
[M+CH3COO]-	509.35425	274.9
[M+Na-2H]-	471.31507	197.8
[M]+	450.33985	189.4
[M]-	450.34095	189.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

451.34768

202.1

[M+Na]+

473.32962

198.2

[M-H]-

449.33312

203.7

[M+NH4]+

468.37422

219.6

[M+K]+

489.30356

204.0

[M+H-H2O]+

433.33766

183.3

[M+HCOO]-

495.33860

210.2

[M+CH3COO]-

509.35425

274.9

[M+Na-2H]-

471.31507

197.8

[M]+

450.33985

189.4

[M]-

450.34095

189.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-[2-[[n-[n-[8-[[n-[n-(2-aminoethyl)carbamimidoyl]carbamimidoyl]amino]octyl]carbamimidoyl]carbamimidoyl]amino]ethyl]-1-cyano-formamidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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