PubChemLite - N-(1-benzotriazolecarbonyl)-l-leucine diphenylmethylamide (C26H27N5O2)

Structural Information

Molecular Formula

SMILES

CC(C)C[C@@H](C(=O)NC(C1=CC=CC=C1)C2=CC=CC=C2)NC(=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C26H27N5O2/c1-18(2)17-22(27-26(33)31-23-16-10-9-15-21(23)29-30-31)25(32)28-24(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,22,24H,17H2,1-2H3,(H,27,33)(H,28,32)/t22-/m0/s1

InChIKey

QXTHLNPPIFLPKD-QFIPXVFZSA-N

Compound name

N-[(2S)-1-(benzhydrylamino)-4-methyl-1-oxopentan-2-yl]benzotriazole-1-carboxamide

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]+	442.22374	205.5
[M+Na]+	464.20568	207.8
[M-H]-	440.20918	211.8
[M+NH4]+	459.25028	211.3
[M+K]+	480.17962	202.7
[M+H-H2O]+	424.21372	193.4
[M+HCOO]-	486.21466	222.7
[M+CH3COO]-	500.23031	212.0
[M+Na-2H]-	462.19113	206.8
[M]+	441.21591	205.7
[M]-	441.21701	205.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

442.22374

205.5

[M+Na]+

464.20568

207.8

[M-H]-

440.20918

211.8

[M+NH4]+

459.25028

211.3

[M+K]+

480.17962

202.7

[M+H-H2O]+

424.21372

193.4

[M+HCOO]-

486.21466

222.7

[M+CH3COO]-

500.23031

212.0

[M+Na-2H]-

462.19113

206.8

[M]+

441.21591

205.7

[M]-

441.21701

205.7

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

N-(1-benzotriazolecarbonyl)-l-leucine diphenylmethylamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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