CID 3054838

71795-52-3

Structural Information

Molecular Formula
C16H16N4O2S
SMILES
C1=CC=C(C=C1)CN2C=CN=C2NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C16H16N4O2S/c17-14-6-8-15(9-7-14)23(21,22)19-16-18-10-11-20(16)12-13-4-2-1-3-5-13/h1-11H,12,17H2,(H,18,19)
InChIKey
IUFUHMBSVVFYSO-UHFFFAOYSA-N
Compound name
4-amino-N-(1-benzylimidazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0994 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.106676 173.9
[M+Na]+ 351.088618 182.3
[M-H]- 327.092124 181.4
[M+NH4]+ 346.133223 186.4
[M+K]+ 367.062558 176.1
[M+H-H2O]+ 311.096660 164.9
[M+HCOO]- 373.097601 192.9
[M+CH3COO]- 387.113251 184.7
[M+Na-2H]- 349.074066 177.9
[M]+ 328.09885142 174.6
[M]- 328.09994858 174.6
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.