PubChemLite - L-lyscar-5app-l-lyscar (C21H44N6O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C21H44N6O6/c22-10-4-1-7-13-27(20(29)32-15-17(25)8-2-5-11-23)14-19(28)26-18(9-3-6-12-24)16-33-21(30)31/h17-18H,1-16,22-25H2,(H,26,28)(H,30,31)/t17-,18-/m0/s1

InChIKey

VRHXVPVUDOUCSK-ROUUACIJSA-N

Compound name

[(2S)-6-amino-2-[[2-[5-aminopentyl-[(2S)-2,6-diaminohexoxy]carbonylamino]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]+	477.33952	219.2
[M+Na]+	499.32146	233.7
[M-H]-	475.32496	227.7
[M+NH4]+	494.36606	219.6
[M+K]+	515.29540	223.5
[M+H-H2O]+	459.32950	216.0
[M+HCOO]-	521.33044	207.6
[M+CH3COO]-	535.34609	253.8
[M+Na-2H]-	497.30691	209.6
[M]+	476.33169	202.4
[M]-	476.33279	202.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

477.33952

219.2

[M+Na]+

499.32146

233.7

[M-H]-

475.32496

227.7

[M+NH4]+

494.36606

219.6

[M+K]+

515.29540

223.5

[M+H-H2O]+

459.32950

216.0

[M+HCOO]-

521.33044

207.6

[M+CH3COO]-

535.34609

253.8

[M+Na-2H]-

497.30691

209.6

[M]+

476.33169

202.4

[M]-

476.33279

202.4

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

L-lyscar-5app-l-lyscar

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe