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

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H40N6O5/c20-9-3-1-7-15(14-30-19(28)29)24-17(26)13-25(12-6-5-11-22)18(27)16(23)8-2-4-10-21/h15-16H,1-14,20-23H2,(H,24,26)(H,28,29)/t15-,16-/m0/s1

InChIKey

DQRDNKCEIWQHLC-HOTGVXAUSA-N

Compound name

[(2S)-6-amino-2-[[2-[4-aminobutyl-[(2S)-2,6-diaminohexanoyl]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	211.1
[M+Na]+	455.29525	226.3
[M-H]-	431.29875	219.6
[M+NH4]+	450.33985	210.8
[M+K]+	471.26919	215.5
[M+H-H2O]+	415.30329	195.7
[M+HCOO]-	477.30423	200.1
[M+CH3COO]-	491.31988	246.6
[M+Na-2H]-	453.28070	202.5
[M]+	432.30548	194.3
[M]-	432.30658	194.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.31331

211.1

[M+Na]+

455.29525

226.3

[M-H]-

431.29875

219.6

[M+NH4]+

450.33985

210.8

[M+K]+

471.26919

215.5

[M+H-H2O]+

415.30329

195.7

[M+HCOO]-

477.30423

200.1

[M+CH3COO]-

491.31988

246.6

[M+Na-2H]-

453.28070

202.5

[M]+

432.30548

194.3

[M]-

432.30658

194.3

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

L-lys-4abp-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe