CID 513240

Schembl2489939

Structural Information

Molecular Formula
C17H14FNO4
SMILES
CN1CC(=C(C1=O)O)C(=O)C2=C(C=CO2)CC3=CC=C(C=C3)F
InChI
InChI=1S/C17H14FNO4/c1-19-9-13(15(21)17(19)22)14(20)16-11(6-7-23-16)8-10-2-4-12(18)5-3-10/h2-7,21H,8-9H2,1H3
InChIKey
XGVLYDRGJIFJDN-UHFFFAOYSA-N
Compound name
3-[3-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-methyl-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

315.0907 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.09798 168.9
[M+Na]+ 338.07992 178.3
[M-H]- 314.08342 176.9
[M+NH4]+ 333.12452 183.8
[M+K]+ 354.05386 175.1
[M+H-H2O]+ 298.08796 161.4
[M+HCOO]- 360.08890 189.2
[M+CH3COO]- 374.10455 203.7
[M+Na-2H]- 336.06537 166.8
[M]+ 315.09015 170.7
[M]- 315.09125 170.7
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