CID 459310

Alpha-(o-benzoylbenzoyl)acetanilide

Structural Information

Molecular Formula
C22H17NO3
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)CC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C22H17NO3/c24-20(15-21(25)23-17-11-5-2-6-12-17)18-13-7-8-14-19(18)22(26)16-9-3-1-4-10-16/h1-14H,15H2,(H,23,25)
InChIKey
JZPONJUCTCEZBM-UHFFFAOYSA-N
Compound name
3-(2-benzoylphenyl)-3-oxo-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.12085 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12813 181.5
[M+Na]+ 366.11007 185.5
[M-H]- 342.11357 190.4
[M+NH4]+ 361.15467 192.9
[M+K]+ 382.08401 180.9
[M+H-H2O]+ 326.11811 171.6
[M+HCOO]- 388.11905 203.5
[M+CH3COO]- 402.13470 213.8
[M+Na-2H]- 364.09552 183.9
[M]+ 343.12030 180.4
[M]- 343.12140 180.4
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.