PubChemLite - L-argcar-4abp-l-lyscar (C20H42N8O6)

Structural Information

Molecular Formula

SMILES

C(CCN)C[C@@H](COC(=O)O)NC(=O)CN(CCCCN)C(=O)OC[C@H](CCCN=C(N)N)N

InChI

InChI=1S/C20H42N8O6/c21-8-2-1-7-16(14-34-20(31)32)27-17(29)12-28(11-4-3-9-22)19(30)33-13-15(23)6-5-10-26-18(24)25/h15-16H,1-14,21-23H2,(H,27,29)(H,31,32)(H4,24,25,26)/t15-,16-/m0/s1

InChIKey

VVFRDLHKPFRTFH-HOTGVXAUSA-N

Compound name

[(2S)-6-amino-2-[[2-[4-aminobutyl-[(2S)-2-amino-5-(diaminomethylideneamino)pentoxy]carbonylamino]acetyl]amino]hexyl] hydrogen carbonate

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]+	491.33000	211.9
[M+Na]+	513.31194	230.0
[M-H]-	489.31544	226.5
[M+NH4]+	508.35654	213.5
[M+K]+	529.28588	217.7
[M+H-H2O]+	473.31998	208.5
[M+HCOO]-	535.32092	196.8
[M+CH3COO]-	549.33657	263.2
[M+Na-2H]-	511.29739	204.9
[M]+	490.32217	191.3
[M]-	490.32327	191.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.33000

211.9

[M+Na]+

513.31194

230.0

[M-H]-

489.31544

226.5

[M+NH4]+

508.35654

213.5

[M+K]+

529.28588

217.7

[M+H-H2O]+

473.31998

208.5

[M+HCOO]-

535.32092

196.8

[M+CH3COO]-

549.33657

263.2

[M+Na-2H]-

511.29739

204.9

[M]+

490.32217

191.3

[M]-

490.32327

191.3

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

L-argcar-4abp-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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