CID 6478849

2-[(z)-3-[5-[(4-fluorophenyl)methyl]-2-furyl]-1-hydroxy-3-oxo-prop-1-enyl]pyridine-4-carboxylic acid

Structural Information

Molecular Formula
C20H14FNO5
SMILES
C1=CC(=CC=C1CC2=CC=C(O2)C(=O)/C=C(/C3=NC=CC(=C3)C(=O)O)\O)F
InChI
InChI=1S/C20H14FNO5/c21-14-3-1-12(2-4-14)9-15-5-6-19(27-15)18(24)11-17(23)16-10-13(20(25)26)7-8-22-16/h1-8,10-11,23H,9H2,(H,25,26)/b17-11-
InChIKey
BALJCBMDIXFUJS-BOPFTXTBSA-N
Compound name
2-[(Z)-3-[5-[(4-fluorophenyl)methyl]furan-2-yl]-1-hydroxy-3-oxoprop-1-enyl]pyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.0856 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.09288 183.3
[M+Na]+ 390.07482 189.7
[M-H]- 366.07832 189.0
[M+NH4]+ 385.11942 192.4
[M+K]+ 406.04876 185.8
[M+H-H2O]+ 350.08286 173.8
[M+HCOO]- 412.08380 199.9
[M+CH3COO]- 426.09945 210.2
[M+Na-2H]- 388.06027 181.7
[M]+ 367.08505 183.3
[M]- 367.08615 183.3
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.