CID 70398

959-66-0

Structural Information

Molecular Formula
C15H13NO2
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H13NO2/c17-14(12-7-3-1-4-8-12)11-15(18)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)
InChIKey
XRZDIHADHZSFBB-UHFFFAOYSA-N
Compound name
3-oxo-N,3-diphenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

7463
Patents

239.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 153.6
[M+Na]+ 262.08386 158.9
[M-H]- 238.08736 159.9
[M+NH4]+ 257.12846 170.1
[M+K]+ 278.05780 155.6
[M+H-H2O]+ 222.09190 145.8
[M+HCOO]- 284.09284 177.6
[M+CH3COO]- 298.10849 193.4
[M+Na-2H]- 260.06931 159.1
[M]+ 239.09409 152.4
[M]- 239.09519 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe