CID 3054841

71795-55-6

Structural Information

Molecular Formula
C16H15ClN4O2S
SMILES
C1=CC=C(C(=C1)CN2C=CN=C2NS(=O)(=O)C3=CC=C(C=C3)N)Cl
InChI
InChI=1S/C16H15ClN4O2S/c17-15-4-2-1-3-12(15)11-21-10-9-19-16(21)20-24(22,23)14-7-5-13(18)6-8-14/h1-10H,11,18H2,(H,19,20)
InChIKey
DKAMSYJCGJDVNK-UHFFFAOYSA-N
Compound name
4-amino-N-[1-[(2-chlorophenyl)methyl]imidazol-2-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.06042 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06770 182.1
[M+Na]+ 385.04964 191.8
[M-H]- 361.05314 189.8
[M+NH4]+ 380.09424 194.3
[M+K]+ 401.02358 184.3
[M+H-H2O]+ 345.05768 173.7
[M+HCOO]- 407.05862 196.3
[M+CH3COO]- 421.07427 192.6
[M+Na-2H]- 383.03509 184.7
[M]+ 362.05987 185.2
[M]- 362.06097 185.2
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.