CID 3054819

71795-34-1

Structural Information

Molecular Formula
C19H19ClN4O3S
SMILES
CC1=CN=C(N1CC2=CC=CC=C2Cl)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C19H19ClN4O3S/c1-13-11-21-19(24(13)12-15-5-3-4-6-18(15)20)23-28(26,27)17-9-7-16(8-10-17)22-14(2)25/h3-11H,12H2,1-2H3,(H,21,23)(H,22,25)
InChIKey
UCTXHTLGIWQGAP-UHFFFAOYSA-N
Compound name
N-[4-[[1-[(2-chlorophenyl)methyl]-5-methylimidazol-2-yl]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.08664 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.09392 197.0
[M+Na]+ 441.07586 209.3
[M+NH4]+ 436.12046 202.5
[M+K]+ 457.04980 202.9
[M-H]- 417.07936 201.0
[M+Na-2H]- 439.06131 204.6
[M]+ 418.08609 200.5
[M]- 418.08719 200.5
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.