CID 513239

Schembl751986

Structural Information

Molecular Formula
C19H16FNO4
SMILES
C1CC1N2CC(=C(C2=O)O)C(=O)C3=CC=C(O3)CC4=CC=C(C=C4)F
InChI
InChI=1S/C19H16FNO4/c20-12-3-1-11(2-4-12)9-14-7-8-16(25-14)17(22)15-10-21(13-5-6-13)19(24)18(15)23/h1-4,7-8,13,23H,5-6,9-10H2
InChIKey
WOYUWVGHWFVONJ-UHFFFAOYSA-N
Compound name
1-cyclopropyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

341.10632 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.11360 170.0
[M+Na]+ 364.09554 180.2
[M-H]- 340.09904 181.1
[M+NH4]+ 359.14014 179.0
[M+K]+ 380.06948 175.3
[M+H-H2O]+ 324.10358 162.7
[M+HCOO]- 386.10452 189.7
[M+CH3COO]- 400.12017 210.3
[M+Na-2H]- 362.08099 167.8
[M]+ 341.10577 173.7
[M]- 341.10687 173.7
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