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

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C19H40N6O5/c20-9-3-1-7-15(14-30-19(28)29)24-18(27)16(8-2-4-10-21)25-17(26)13-23-12-6-5-11-22/h15-16,23H,1-14,20-22H2,(H,24,27)(H,25,26)(H,28,29)/t15-,16+/m1/s1

InChIKey

YFLNDHRTHUSPJV-CVEARBPZSA-N

Compound name

[(2R)-6-amino-2-[[(2S)-6-amino-2-[[2-(4-aminobutylamino)acetyl]amino]hexanoyl]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	217.1
[M+Na]+	455.29525	230.9
[M-H]-	431.29875	224.2
[M+NH4]+	450.33985	214.0
[M+K]+	471.26919	219.9
[M+H-H2O]+	415.30329	193.0
[M+HCOO]-	477.30423	207.3
[M+CH3COO]-	491.31988	244.1
[M+Na-2H]-	453.28070	196.8
[M]+	432.30548	199.8
[M]-	432.30658	199.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.31331

217.1

[M+Na]+

455.29525

230.9

[M-H]-

431.29875

224.2

[M+NH4]+

450.33985

214.0

[M+K]+

471.26919

219.9

[M+H-H2O]+

415.30329

193.0

[M+HCOO]-

477.30423

207.3

[M+CH3COO]-

491.31988

244.1

[M+Na-2H]-

453.28070

196.8

[M]+

432.30548

199.8

[M]-

432.30658

199.8

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

4abp-l-lys-d-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe