PubChemLite - N-[3-[[n-[n-[6-[[n-[n-(2-aminoethyl)carbamimidoyl]carbamimidoyl]amino]hexyl]carbamimidoyl]carbamimidoyl]amino]propyl]-1-cyano-formamidine (C17H36N14)

Structural Information

Molecular Formula

SMILES

C(CCCN=C(N)NC(=NCCN)N)CCN=C(N)NC(=NCCCN=C(C#N)N)N

InChI

InChI=1S/C17H36N14/c18-6-11-29-17(24)31-15(22)27-8-4-2-1-3-7-26-14(21)30-16(23)28-10-5-9-25-13(20)12-19/h1-11,18H2,(H2,20,25)(H5,21,23,26,28,30)(H5,22,24,27,29,31)

InChIKey

XPBOXXFCMRXOSD-UHFFFAOYSA-N

Compound name

N'-[3-[[amino-[[N'-[6-[[amino-[[N'-(2-aminoethyl)carbamimidoyl]amino]methylidene]amino]hexyl]carbamimidoyl]amino]methylidene]amino]propyl]-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]+	437.33202	199.1
[M+Na]+	459.31396	195.6
[M-H]-	435.31746	200.8
[M+NH4]+	454.35856	216.9
[M+K]+	475.28790	201.5
[M+H-H2O]+	419.32200	180.4
[M+HCOO]-	481.32294	207.9
[M+CH3COO]-	495.33859	272.6
[M+Na-2H]-	457.29941	195.1
[M]+	436.32419	186.1
[M]-	436.32529	186.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.33202

199.1

[M+Na]+

459.31396

195.6

[M-H]-

435.31746

200.8

[M+NH4]+

454.35856

216.9

[M+K]+

475.28790

201.5

[M+H-H2O]+

419.32200

180.4

[M+HCOO]-

481.32294

207.9

[M+CH3COO]-

495.33859

272.6

[M+Na-2H]-

457.29941

195.1

[M]+

436.32419

186.1

[M]-

436.32529

186.1

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

N-[3-[[n-[n-[6-[[n-[n-(2-aminoethyl)carbamimidoyl]carbamimidoyl]amino]hexyl]carbamimidoyl]carbamimidoyl]amino]propyl]-1-cyano-formamidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe