CID 486524

Schembl14419488

Structural Information

Molecular Formula
C22H19ClN2O5S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H19ClN2O5S/c1-31(28,29)25-18-10-8-17(9-11-18)24-21(26)14-30-20-12-7-16(23)13-19(20)22(27)15-5-3-2-4-6-15/h2-13,25H,14H2,1H3,(H,24,26)
InChIKey
MXUYMCKSBQMZIN-UHFFFAOYSA-N
Compound name
2-(2-benzoyl-4-chlorophenoxy)-N-[4-(methanesulfonamido)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

458.0703 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.07758 203.9
[M+Na]+ 481.05952 209.7
[M-H]- 457.06302 213.5
[M+NH4]+ 476.10412 212.3
[M+K]+ 497.03346 204.0
[M+H-H2O]+ 441.06756 195.1
[M+HCOO]- 503.06850 217.4
[M+CH3COO]- 517.08415 231.6
[M+Na-2H]- 479.04497 206.1
[M]+ 458.06975 209.9
[M]- 458.07085 209.9
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

patents stripe