CID 3063678

Propionanilide, 3-benzamido-2'-benzoyl-4'-chloro-

Structural Information

Molecular Formula
C23H19ClN2O3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H19ClN2O3/c24-18-11-12-20(19(15-18)22(28)16-7-3-1-4-8-16)26-21(27)13-14-25-23(29)17-9-5-2-6-10-17/h1-12,15H,13-14H2,(H,25,29)(H,26,27)
InChIKey
WHYYTGPTSLJKSM-UHFFFAOYSA-N
Compound name
N-[3-(2-benzoyl-4-chloroanilino)-3-oxopropyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.10843 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.11571 196.4
[M+Na]+ 429.09765 200.9
[M-H]- 405.10115 205.3
[M+NH4]+ 424.14225 206.2
[M+K]+ 445.07159 194.6
[M+H-H2O]+ 389.10569 186.9
[M+HCOO]- 451.10663 214.6
[M+CH3COO]- 465.12228 225.9
[M+Na-2H]- 427.08310 197.6
[M]+ 406.10788 198.0
[M]- 406.10898 198.0
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.