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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	363.067696	182.1
[M+Na]+	385.049638	191.8
[M-H]-	361.053144	189.8
[M+NH4]+	380.094243	194.3
[M+K]+	401.023578	184.3
[M+H-H2O]+	345.057680	173.7
[M+HCOO]-	407.058621	196.3
[M+CH3COO]-	421.074271	192.6
[M+Na-2H]-	383.035086	184.7
[M]+	362.05987142	185.2
[M]-	362.06096858	185.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.