CID 3054827

71795-42-1

Structural Information

Molecular Formula
C17H17N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CN2CC3=CC=CC=C3
InChI
InChI=1S/C17H17N3O2S/c1-14-7-9-16(10-8-14)23(21,22)19-17-18-11-12-20(17)13-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,18,19)
InChIKey
HDTLTJOZWPVKSQ-UHFFFAOYSA-N
Compound name
N-(1-benzylimidazol-2-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.10416 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.111436 175.7
[M+Na]+ 350.093378 184.6
[M-H]- 326.096884 183.7
[M+NH4]+ 345.137983 188.9
[M+K]+ 366.067318 178.7
[M+H-H2O]+ 310.101420 166.8
[M+HCOO]- 372.102361 194.0
[M+CH3COO]- 386.118011 205.9
[M+Na-2H]- 348.078826 179.1
[M]+ 327.10361142 178.3
[M]- 327.10470858 178.3
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.