PubChemLite - Lysine derivative 11 (C32H38N2O6S)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O

InChI

InChI=1S/C32H38N2O6S/c1-22(2)20-34(41(38,39)24-17-15-23(3)16-18-24)30(31(35)36)14-8-9-19-33-32(37)40-21-29-27-12-6-4-10-25(27)26-11-5-7-13-28(26)29/h4-7,10-13,15-18,22,29-30H,8-9,14,19-21H2,1-3H3,(H,33,37)(H,35,36)/t30-/m0/s1

InChIKey

UXBUYQULNOSYKV-PMERELPUSA-N

Compound name

(2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(4-methylphenyl)sulfonyl-(2-methylpropyl)amino]hexanoic acid

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]+	579.25234	240.3
[M+Na]+	601.23428	240.0
[M-H]-	577.23778	246.4
[M+NH4]+	596.27888	246.1
[M+K]+	617.20822	237.4
[M+H-H2O]+	561.24232	231.8
[M+HCOO]-	623.24326	250.4
[M+CH3COO]-	637.25891	260.1
[M+Na-2H]-	599.21973	238.1
[M]+	578.24451	247.8
[M]-	578.24561	247.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

579.25234

240.3

[M+Na]+

601.23428

240.0

[M-H]-

577.23778

246.4

[M+NH4]+

596.27888

246.1

[M+K]+

617.20822

237.4

[M+H-H2O]+

561.24232

231.8

[M+HCOO]-

623.24326

250.4

[M+CH3COO]-

637.25891

260.1

[M+Na-2H]-

599.21973

238.1

[M]+

578.24451

247.8

[M]-

578.24561

247.8

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

Lysine derivative 11

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe