PubChemLite - 4abp-4abp-l-lyscar (C19H40N6O5)

Structural Information

Molecular Formula

SMILES

C(CCN)C[C@@H](COC(=O)O)NC(=O)CN(CCCCN)C(=O)CNCCCCN

InChI

InChI=1S/C19H40N6O5/c20-8-2-1-7-16(15-30-19(28)29)24-17(26)14-25(12-6-4-10-22)18(27)13-23-11-5-3-9-21/h16,23H,1-15,20-22H2,(H,24,26)(H,28,29)/t16-/m0/s1

InChIKey

VSUHRFHOWIJLDC-INIZCTEOSA-N

Compound name

[(2S)-6-amino-2-[[2-[4-aminobutyl-[2-(4-aminobutylamino)acetyl]amino]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]+	433.31331	218.7
[M+Na]+	455.29525	233.5
[M-H]-	431.29875	226.3
[M+NH4]+	450.33985	217.8
[M+K]+	471.26919	222.4
[M+H-H2O]+	415.30329	193.7
[M+HCOO]-	477.30423	210.5
[M+CH3COO]-	491.31988	246.0
[M+Na-2H]-	453.28070	198.1
[M]+	432.30548	202.6
[M]-	432.30658	202.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.31331

218.7

[M+Na]+

455.29525

233.5

[M-H]-

431.29875

226.3

[M+NH4]+

450.33985

217.8

[M+K]+

471.26919

222.4

[M+H-H2O]+

415.30329

193.7

[M+HCOO]-

477.30423

210.5

[M+CH3COO]-

491.31988

246.0

[M+Na-2H]-

453.28070

198.1

[M]+

432.30548

202.6

[M]-

432.30658

202.6

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

4abp-4abp-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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