CID 3054831

71795-46-5

Structural Information

Molecular Formula
C18H17ClN4O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CN2CC3=CC=CC=C3Cl
InChI
InChI=1S/C18H17ClN4O3S/c1-13(24)21-15-6-8-16(9-7-15)27(25,26)22-18-20-10-11-23(18)12-14-4-2-3-5-17(14)19/h2-11H,12H2,1H3,(H,20,22)(H,21,24)
InChIKey
CNDYSUYWCVCOCT-UHFFFAOYSA-N
Compound name
N-[4-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.07098 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.078256 192.8
[M+Na]+ 427.060198 201.2
[M-H]- 403.063704 200.9
[M+NH4]+ 422.104803 203.3
[M+K]+ 443.034138 194.5
[M+H-H2O]+ 387.068240 184.1
[M+HCOO]- 449.069181 206.3
[M+CH3COO]- 463.084831 220.3
[M+Na-2H]- 425.045646 194.8
[M]+ 404.07043142 197.6
[M]- 404.07152858 197.6
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.