CID 513255

Schembl754588

Structural Information

Molecular Formula
C18H14FNO4
SMILES
CC1=C(C(=O)C(=CN1)C(=O)C2=CC=C(O2)CC3=CC=C(C=C3)F)O
InChI
InChI=1S/C18H14FNO4/c1-10-16(21)18(23)14(9-20-10)17(22)15-7-6-13(24-15)8-11-2-4-12(19)5-3-11/h2-7,9,21H,8H2,1H3,(H,20,23)
InChIKey
FJELMOOXKBNRTR-UHFFFAOYSA-N
Compound name
5-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-3-hydroxy-2-methyl-1H-pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

327.0907 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.09798 172.8
[M+Na]+ 350.07992 182.6
[M-H]- 326.08342 179.4
[M+NH4]+ 345.12452 184.6
[M+K]+ 366.05386 177.8
[M+H-H2O]+ 310.08796 164.0
[M+HCOO]- 372.08890 191.8
[M+CH3COO]- 386.10455 204.2
[M+Na-2H]- 348.06537 173.0
[M]+ 327.09015 173.6
[M]- 327.09125 173.6
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