CID 513252

Schembl754971

Structural Information

Molecular Formula
C18H14FNO4
SMILES
CN1C=CC(=C(C1=O)O)C(=O)C2=CC=C(O2)CC3=CC=C(C=C3)F
InChI
InChI=1S/C18H14FNO4/c1-20-9-8-14(17(22)18(20)23)16(21)15-7-6-13(24-15)10-11-2-4-12(19)5-3-11/h2-9,22H,10H2,1H3
InChIKey
FGLAHILSKMVDPX-UHFFFAOYSA-N
Compound name
4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-1-methylpyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

327.0907 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09798 172.4
[M+Na]+ 350.07992 182.6
[M-H]- 326.08342 180.4
[M+NH4]+ 345.12452 184.9
[M+K]+ 366.05386 178.7
[M+H-H2O]+ 310.08796 163.3
[M+HCOO]- 372.08890 192.8
[M+CH3COO]- 386.10455 206.4
[M+Na-2H]- 348.06537 173.0
[M]+ 327.09015 175.0
[M]- 327.09125 175.0
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