CID 16472626

874585-10-1

Structural Information

Molecular Formula
C22H18ClN3O5S
SMILES
C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC(=CC=C4)Cl
InChI
InChI=1S/C22H18ClN3O5S/c23-15-4-3-5-17(14-15)25-32(29,30)18-10-8-16(9-11-18)24-21(27)12-13-26-19-6-1-2-7-20(19)31-22(26)28/h1-11,14,25H,12-13H2,(H,24,27)
InChIKey
ZLZLPFISTFYMKG-UHFFFAOYSA-N
Compound name
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.06558 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.07286 207.5
[M+Na]+ 494.05480 221.7
[M+NH4]+ 489.09940 213.1
[M+K]+ 510.02874 214.7
[M-H]- 470.05830 213.8
[M+Na-2H]- 492.04025 215.6
[M]+ 471.06503 212.0
[M]- 471.06613 212.0
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.