CID 3072650

143572-55-8

Structural Information

Molecular Formula
C21H19NO2
SMILES
CC1=CC=C(C=C1)C(=O)C2=C(C=C(N(C2=O)C)C)C3=CC=CC=C3
InChI
InChI=1S/C21H19NO2/c1-14-9-11-17(12-10-14)20(23)19-18(16-7-5-4-6-8-16)13-15(2)22(3)21(19)24/h4-13H,1-3H3
InChIKey
NENATYDAFDTMOB-UHFFFAOYSA-N
Compound name
1,6-dimethyl-3-(4-methylbenzoyl)-4-phenylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.14157 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.148846 174.7
[M+Na]+ 340.130788 184.3
[M-H]- 316.134294 183.9
[M+NH4]+ 335.175393 187.8
[M+K]+ 356.104728 178.6
[M+H-H2O]+ 300.138830 164.9
[M+HCOO]- 362.139771 196.3
[M+CH3COO]- 376.155421 210.9
[M+Na-2H]- 338.116236 176.6
[M]+ 317.14102142 176.7
[M]- 317.14211858 176.7
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.