CID 458895

2-chloro-alpha-(methybenzoyl)-4-(p-tolylsulfonamido)acetanilide

Structural Information

Molecular Formula
C23H21ClN2O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2)NC(=O)CC(=O)C3=CC=CC=C3OC)Cl
InChI
InChI=1S/C23H21ClN2O5S/c1-15-7-10-17(11-8-15)32(29,30)26-16-9-12-20(19(24)13-16)25-23(28)14-21(27)18-5-3-4-6-22(18)31-2/h3-13,26H,14H2,1-2H3,(H,25,28)
InChIKey
MYRJBRJGTDCYPA-UHFFFAOYSA-N
Compound name
N-[2-chloro-4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(2-methoxyphenyl)-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.08597 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.09325 208.3
[M+Na]+ 495.07519 214.5
[M-H]- 471.07869 218.1
[M+NH4]+ 490.11979 216.5
[M+K]+ 511.04913 208.8
[M+H-H2O]+ 455.08323 199.5
[M+HCOO]- 517.08417 221.4
[M+CH3COO]- 531.09982 235.8
[M+Na-2H]- 493.06064 209.4
[M]+ 472.08542 215.1
[M]- 472.08652 215.1
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.