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 180.4
[M+Na]+ 364.10902 189.7
[M-H]- 340.11252 188.6
[M+NH4]+ 359.15362 193.3
[M+K]+ 380.08296 183.5
[M+H-H2O]+ 324.11706 171.5
[M+HCOO]- 386.11800 198.3
[M+CH3COO]- 400.13365 210.1
[M+Na-2H]- 362.09447 182.6
[M]+ 341.11925 183.8
[M]- 341.12035 183.8
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.