CID 376677

Nsc657722

Structural Information

Molecular Formula
C24H21Cl2NO4S
SMILES
CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C2=CC=CC=C2Cl)S(=O)(=O)CC3=CC=CC=C3Cl
InChI
InChI=1S/C24H21Cl2NO4S/c1-15-8-7-9-16(2)21(15)27-24(29)22(28)23(18-11-4-6-13-20(18)26)32(30,31)14-17-10-3-5-12-19(17)25/h3-13,23H,14H2,1-2H3,(H,27,29)
InChIKey
MFERXJLGXFFSND-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-3-[(2-chlorophenyl)methylsulfonyl]-N-(2,6-dimethylphenyl)-2-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.05682 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.06410 208.3
[M+Na]+ 512.04604 215.4
[M-H]- 488.04954 217.8
[M+NH4]+ 507.09064 217.0
[M+K]+ 528.01998 208.5
[M+H-H2O]+ 472.05408 201.1
[M+HCOO]- 534.05502 214.3
[M+CH3COO]- 548.07067 235.7
[M+Na-2H]- 510.03149 206.6
[M]+ 489.05627 216.0
[M]- 489.05737 216.0
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.