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]+ 377.08336 187.2
[M+Na]+ 399.06530 197.2
[M-H]- 375.06880 195.1
[M+NH4]+ 394.10990 199.1
[M+K]+ 415.03924 189.6
[M+H-H2O]+ 359.07334 178.8
[M+HCOO]- 421.07428 201.0
[M+CH3COO]- 435.08993 216.5
[M+Na-2H]- 397.05075 188.6
[M]+ 376.07553 191.1
[M]- 376.07663 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.