CID 51060056

N-(1h-1,2,3-benzotriazol-1-ylmethyl)-n-(2-cyanophenyl)methanesulfonamide

Structural Information

Molecular Formula

C₁₅H₁₃N₅O₂S

SMILES

CS(=O)(=O)N(CN1C2=CC=CC=C2N=N1)C3=CC=CC=C3C#N

InChI

InChI=1S/C15H13N5O2S/c1-23(21,22)20(14-8-4-2-6-12(14)10-16)11-19-15-9-5-3-7-13(15)17-18-19/h2-9H,11H2,1H3

InChIKey

VAEPWOPXSWNIKN-UHFFFAOYSA-N

Compound name

N-(benzotriazol-1-ylmethyl)-N-(2-cyanophenyl)methanesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 327.079 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

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]+	328.086276	183.0
[M+Na]+	350.068218	194.9
[M-H]-	326.071724	186.9
[M+NH4]+	345.112823	194.6
[M+K]+	366.042158	189.3
[M+H-H2O]+	310.076260	166.9
[M+HCOO]-	372.077201	196.5
[M+CH3COO]-	386.092851	192.2
[M+Na-2H]-	348.053666	186.7
[M]+	327.07845142	182.8
[M]-	327.07954858	182.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.