CID 513251

Schembl754653

Structural Information

Molecular Formula
C19H18FNO4
SMILES
CCN1CCC(=C(C1=O)O)C(=O)C2=CC=C(O2)CC3=CC=C(C=C3)F
InChI
InChI=1S/C19H18FNO4/c1-2-21-10-9-15(18(23)19(21)24)17(22)16-8-7-14(25-16)11-12-3-5-13(20)6-4-12/h3-8,23H,2,9-11H2,1H3
InChIKey
SBWJUMVWAIUSDI-UHFFFAOYSA-N
Compound name
1-ethyl-4-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-5-hydroxy-2,3-dihydropyridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

343.12198 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12926 178.9
[M+Na]+ 366.11120 186.7
[M-H]- 342.11470 185.9
[M+NH4]+ 361.15580 190.6
[M+K]+ 382.08514 182.9
[M+H-H2O]+ 326.11924 169.7
[M+HCOO]- 388.12018 196.2
[M+CH3COO]- 402.13583 210.0
[M+Na-2H]- 364.09665 177.1
[M]+ 343.12143 179.0
[M]- 343.12253 179.0
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

No patent data available for this compound.