CID 3007416

108664-43-3

Structural Information

Molecular Formula
C21H17NO2
SMILES
C=C(CN1C=CC=CC1=O)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H17NO2/c1-16(15-22-14-6-5-9-20(22)23)21(24)19-12-10-18(11-13-19)17-7-3-2-4-8-17/h2-14H,1,15H2
InChIKey
ZVRYZEXHWLNWSN-UHFFFAOYSA-N
Compound name
1-[2-(4-phenylbenzoyl)prop-2-enyl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.12592 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13320 174.2
[M+Na]+ 338.11514 180.9
[M-H]- 314.11864 182.2
[M+NH4]+ 333.15974 186.2
[M+K]+ 354.08908 174.9
[M+H-H2O]+ 298.12318 164.0
[M+HCOO]- 360.12412 194.9
[M+CH3COO]- 374.13977 207.4
[M+Na-2H]- 336.10059 177.1
[M]+ 315.12537 173.5
[M]- 315.12647 173.5
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

No patent data available for this compound.