PubChemLite - L-lys-5app-l-lyscar (C20H42N6O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C20H42N6O5/c21-10-4-1-7-13-26(19(28)17(24)9-3-6-12-23)14-18(27)25-16(8-2-5-11-22)15-31-20(29)30/h16-17H,1-15,21-24H2,(H,25,27)(H,29,30)/t16-,17-/m0/s1

InChIKey

BFFAGNQNJXWUCO-IRXDYDNUSA-N

Compound name

[(2S)-6-amino-2-[[2-[5-aminopentyl-[(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]+	447.32894	214.4
[M+Na]+	469.31088	229.4
[M-H]-	445.31438	222.5
[M+NH4]+	464.35548	214.1
[M+K]+	485.28482	219.0
[M+H-H2O]+	429.31892	211.1
[M+HCOO]-	491.31986	203.0
[M+CH3COO]-	505.33551	249.4
[M+Na-2H]-	467.29633	205.4
[M]+	446.32111	197.5
[M]-	446.32221	197.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

447.32894

214.4

[M+Na]+

469.31088

229.4

[M-H]-

445.31438

222.5

[M+NH4]+

464.35548

214.1

[M+K]+

485.28482

219.0

[M+H-H2O]+

429.31892

211.1

[M+HCOO]-

491.31986

203.0

[M+CH3COO]-

505.33551

249.4

[M+Na-2H]-

467.29633

205.4

[M]+

446.32111

197.5

[M]-

446.32221

197.5

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

L-lys-5app-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe