PubChemLite - Cbz-leu-leu-gly-h (C22H33N3O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C22H33N3O5/c1-15(2)12-18(20(27)23-10-11-26)24-21(28)19(13-16(3)4)25-22(29)30-14-17-8-6-5-7-9-17/h5-9,11,15-16,18-19H,10,12-14H2,1-4H3,(H,23,27)(H,24,28)(H,25,29)/t18-,19-/m0/s1

InChIKey

KCZPDOXBSNGKKC-OALUTQOASA-N

Compound name

benzyl N-[(2S)-4-methyl-1-[[(2S)-4-methyl-1-oxo-1-(2-oxoethylamino)pentan-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]+	420.24931	206.8
[M+Na]+	442.23125	205.1
[M-H]-	418.23475	208.3
[M+NH4]+	437.27585	214.9
[M+K]+	458.20519	205.0
[M+H-H2O]+	402.23929	197.6
[M+HCOO]-	464.24023	224.9
[M+CH3COO]-	478.25588	236.0
[M+Na-2H]-	440.21670	201.0
[M]+	419.24148	208.6
[M]-	419.24258	208.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

420.24931

206.8

[M+Na]+

442.23125

205.1

[M-H]-

418.23475

208.3

[M+NH4]+

437.27585

214.9

[M+K]+

458.20519

205.0

[M+H-H2O]+

402.23929

197.6

[M+HCOO]-

464.24023

224.9

[M+CH3COO]-

478.25588

236.0

[M+Na-2H]-

440.21670

201.0

[M]+

419.24148

208.6

[M]-

419.24258

208.6

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

Cbz-leu-leu-gly-h

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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