PubChemLite - L-lys-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)[C@H](CCCCN)N

InChI

InChI=1S/C19H40N6O5/c20-10-4-1-7-14(13-30-19(28)29)24-18(27)16(9-3-6-12-22)25-17(26)15(23)8-2-5-11-21/h14-16H,1-13,20-23H2,(H,24,27)(H,25,26)(H,28,29)/t14-,15+,16+/m1/s1

InChIKey

YZKXKPNZUVSZRA-PMPSAXMXSA-N

Compound name

[(2R)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]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	209.5
[M+Na]+	455.29525	223.6
[M-H]-	431.29875	217.5
[M+NH4]+	450.33985	207.0
[M+K]+	471.26919	213.0
[M+H-H2O]+	415.30329	195.0
[M+HCOO]-	477.30423	196.9
[M+CH3COO]-	491.31988	244.7
[M+Na-2H]-	453.28070	196.2
[M]+	432.30548	191.5
[M]-	432.30658	191.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.31331

209.5

[M+Na]+

455.29525

223.6

[M-H]-

431.29875

217.5

[M+NH4]+

450.33985

207.0

[M+K]+

471.26919

213.0

[M+H-H2O]+

415.30329

195.0

[M+HCOO]-

477.30423

196.9

[M+CH3COO]-

491.31988

244.7

[M+Na-2H]-

453.28070

196.2

[M]+

432.30548

191.5

[M]-

432.30658

191.5

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

L-lys-l-lys-d-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe