CID 3054836

71795-50-1

Structural Information

Molecular Formula
C17H17ClN4O2S
SMILES
CC1=CN=C(N1CC2=CC=CC=C2Cl)NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C17H17ClN4O2S/c1-12-10-20-17(22(12)11-13-4-2-3-5-16(13)18)21-25(23,24)15-8-6-14(19)7-9-15/h2-10H,11,19H2,1H3,(H,20,21)
InChIKey
YTTSEPPLZXQUFS-UHFFFAOYSA-N
Compound name
4-amino-N-[1-[(2-chlorophenyl)methyl]-5-methylimidazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.07608 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.083356 187.2
[M+Na]+ 399.065298 197.2
[M-H]- 375.068804 195.1
[M+NH4]+ 394.109903 199.1
[M+K]+ 415.039238 189.6
[M+H-H2O]+ 359.073340 178.8
[M+HCOO]- 421.074281 201.0
[M+CH3COO]- 435.089931 216.5
[M+Na-2H]- 397.050746 188.6
[M]+ 376.07553142 191.1
[M]- 376.07662858 191.1
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.