CID 3054835

71795-49-8

Structural Information

Molecular Formula
C17H18N4O2S
SMILES
CC1=CN=C(N1CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C17H18N4O2S/c1-13-11-19-17(21(13)12-14-5-3-2-4-6-14)20-24(22,23)16-9-7-15(18)8-10-16/h2-11H,12,18H2,1H3,(H,19,20)
InChIKey
OMTKXVLAZXMBGJ-UHFFFAOYSA-N
Compound name
4-amino-N-(1-benzyl-5-methylimidazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.11505 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.12233 179.0
[M+Na]+ 365.10427 187.7
[M-H]- 341.10777 186.7
[M+NH4]+ 360.14887 191.2
[M+K]+ 381.07821 181.4
[M+H-H2O]+ 325.11231 170.0
[M+HCOO]- 387.11325 197.6
[M+CH3COO]- 401.12890 211.7
[M+Na-2H]- 363.08972 181.8
[M]+ 342.11450 180.4
[M]- 342.11560 180.4
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.