CID 6366198

3-pyridinecarboxylic acid, 1,4-dihydro-1-(4-fluorophenyl)-4-oxo-6-(2-(3-pyridinyl)ethenyl)-

Structural Information

Molecular Formula
C19H13FN2O3
SMILES
C1=CC(=CN=C1)/C=C/C2=CC(=O)C(=CN2C3=CC=C(C=C3)F)C(=O)O
InChI
InChI=1S/C19H13FN2O3/c20-14-4-7-15(8-5-14)22-12-17(19(24)25)18(23)10-16(22)6-3-13-2-1-9-21-11-13/h1-12H,(H,24,25)/b6-3+
InChIKey
MBIKAEYGSYDDAA-ZZXKWVIFSA-N
Compound name
1-(4-fluorophenyl)-4-oxo-6-[(E)-2-pyridin-3-ylethenyl]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

336.09103 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.09831 177.1
[M+Na]+ 359.08025 186.4
[M-H]- 335.08375 182.1
[M+NH4]+ 354.12485 186.8
[M+K]+ 375.05419 179.4
[M+H-H2O]+ 319.08829 165.7
[M+HCOO]- 381.08923 195.8
[M+CH3COO]- 395.10488 207.5
[M+Na-2H]- 357.06570 179.8
[M]+ 336.09048 176.2
[M]- 336.09158 176.2
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