CID 39870389

2,4-dimethyl-6-oxo-1-phenyl-1,6-dihydropyridine-3-carboxylic acid

Structural Information

Molecular Formula
C14H13NO3
SMILES
CC1=CC(=O)N(C(=C1C(=O)O)C)C2=CC=CC=C2
InChI
InChI=1S/C14H13NO3/c1-9-8-12(16)15(10(2)13(9)14(17)18)11-6-4-3-5-7-11/h3-8H,1-2H3,(H,17,18)
InChIKey
RFKDVOHGQMOTQS-UHFFFAOYSA-N
Compound name
2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

243.08954 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 151.3
[M+Na]+ 266.07876 161.3
[M-H]- 242.08226 156.5
[M+NH4]+ 261.12336 167.2
[M+K]+ 282.05270 157.5
[M+H-H2O]+ 226.08680 143.9
[M+HCOO]- 288.08774 172.9
[M+CH3COO]- 302.10339 192.3
[M+Na-2H]- 264.06421 155.0
[M]+ 243.08899 153.0
[M]- 243.09009 153.0
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

patents stripe