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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08628 183.0
[M+Na]+ 350.06822 194.9
[M-H]- 326.07172 186.9
[M+NH4]+ 345.11282 194.6
[M+K]+ 366.04216 189.3
[M+H-H2O]+ 310.07626 166.9
[M+HCOO]- 372.07720 196.5
[M+CH3COO]- 386.09285 192.2
[M+Na-2H]- 348.05367 186.7
[M]+ 327.07845 182.8
[M]- 327.07955 182.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.