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]+ 328.11144 175.7
[M+Na]+ 350.09338 184.6
[M-H]- 326.09688 183.7
[M+NH4]+ 345.13798 188.9
[M+K]+ 366.06732 178.7
[M+H-H2O]+ 310.10142 166.8
[M+HCOO]- 372.10236 194.0
[M+CH3COO]- 386.11801 205.9
[M+Na-2H]- 348.07883 179.1
[M]+ 327.10361 178.3
[M]- 327.10471 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.