CID 3072651

143572-56-9

Structural Information

Molecular Formula
C20H16ClNO2
SMILES
CC1=CC(=C(C(=O)N1C)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C20H16ClNO2/c1-13-12-17(14-6-4-3-5-7-14)18(20(24)22(13)2)19(23)15-8-10-16(21)11-9-15/h3-12H,1-2H3
InChIKey
ZYNYLFMTQMOINF-UHFFFAOYSA-N
Compound name
3-(4-chlorobenzoyl)-1,6-dimethyl-4-phenylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.08694 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09422 176.6
[M+Na]+ 360.07616 187.4
[M-H]- 336.07966 185.7
[M+NH4]+ 355.12076 189.8
[M+K]+ 376.05010 180.3
[M+H-H2O]+ 320.08420 167.5
[M+HCOO]- 382.08514 194.0
[M+CH3COO]- 396.10079 211.5
[M+Na-2H]- 358.06161 178.6
[M]+ 337.08639 180.7
[M]- 337.08749 180.7
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.