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]+ 343.122326 179.0
[M+Na]+ 365.104268 187.7
[M-H]- 341.107774 186.7
[M+NH4]+ 360.148873 191.2
[M+K]+ 381.078208 181.4
[M+H-H2O]+ 325.112310 170.0
[M+HCOO]- 387.113251 197.6
[M+CH3COO]- 401.128901 211.7
[M+Na-2H]- 363.089716 181.8
[M]+ 342.11450142 180.4
[M]- 342.11559858 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.