CID 513238

Schembl752004

Structural Information

Molecular Formula
C19H18FNO4
SMILES
CC(C)N1CC(=C(C1=O)O)C(=O)C2=CC=C(O2)CC3=CC=C(C=C3)F
InChI
InChI=1S/C19H18FNO4/c1-11(2)21-10-15(18(23)19(21)24)17(22)16-8-7-14(25-16)9-12-3-5-13(20)6-4-12/h3-8,11,23H,9-10H2,1-2H3
InChIKey
YCJWIMKEDKWTGY-UHFFFAOYSA-N
Compound name
3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-1-propan-2-yl-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

343.12198 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12926 178.2
[M+Na]+ 366.11120 186.3
[M-H]- 342.11470 186.0
[M+NH4]+ 361.15580 191.8
[M+K]+ 382.08514 183.3
[M+H-H2O]+ 326.11924 170.5
[M+HCOO]- 388.12018 196.8
[M+CH3COO]- 402.13583 210.5
[M+Na-2H]- 364.09665 173.9
[M]+ 343.12143 180.1
[M]- 343.12253 180.1
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.