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]+ 318.14885 174.7
[M+Na]+ 340.13079 184.3
[M-H]- 316.13429 183.9
[M+NH4]+ 335.17539 187.8
[M+K]+ 356.10473 178.6
[M+H-H2O]+ 300.13883 164.9
[M+HCOO]- 362.13977 196.3
[M+CH3COO]- 376.15542 210.9
[M+Na-2H]- 338.11624 176.6
[M]+ 317.14102 176.7
[M]- 317.14212 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.