PubChemLite - Mg-132 (C26H41N3O5)

Structural Information

Molecular Formula

SMILES

CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C26H41N3O5/c1-17(2)12-21(15-30)27-24(31)22(13-18(3)4)28-25(32)23(14-19(5)6)29-26(33)34-16-20-10-8-7-9-11-20/h7-11,15,17-19,21-23H,12-14,16H2,1-6H3,(H,27,31)(H,28,32)(H,29,33)/t21-,22-,23-/m0/s1

InChIKey

TZYWCYJVHRLUCT-VABKMULXSA-N

Compound name

benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]carbamate

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]+	476.31191	224.3
[M+Na]+	498.29385	220.5
[M-H]-	474.29735	225.1
[M+NH4]+	493.33845	228.5
[M+K]+	514.26779	221.1
[M+H-H2O]+	458.30189	215.0
[M+HCOO]-	520.30283	211.3
[M+CH3COO]-	534.31848	249.3
[M+Na-2H]-	496.27930	214.3
[M]+	475.30408	226.3
[M]-	475.30518	226.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.31191

224.3

[M+Na]+

498.29385

220.5

[M-H]-

474.29735

225.1

[M+NH4]+

493.33845

228.5

[M+K]+

514.26779

221.1

[M+H-H2O]+

458.30189

215.0

[M+HCOO]-

520.30283

211.3

[M+CH3COO]-

534.31848

249.3

[M+Na-2H]-

496.27930

214.3

[M]+

475.30408

226.3

[M]-

475.30518

226.3

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

Mg-132

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe