CID 3054816

71795-31-8

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(N2CC3=CC=CC=C3)C
InChI
InChI=1S/C18H19N3O2S/c1-14-8-10-17(11-9-14)24(22,23)20-18-19-12-15(2)21(18)13-16-6-4-3-5-7-16/h3-12H,13H2,1-2H3,(H,19,20)
InChIKey
CLFVWNOJGVVCRZ-UHFFFAOYSA-N
Compound name
N-(1-benzyl-5-methylimidazol-2-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1198 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.12708 179.7
[M+Na]+ 364.10902 193.4
[M+NH4]+ 359.15362 186.8
[M+K]+ 380.08296 186.1
[M-H]- 340.11252 184.5
[M+Na-2H]- 362.09447 188.9
[M]+ 341.11925 183.5
[M]- 341.12035 183.5
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.