CID 2934207

5-[4-(benzyloxy)phenyl]-4-(4-fluorobenzoyl)-1-[(furan-2-yl)methyl]-3-hydroxy-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C29H22FNO5
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)C3C(=C(C4=CC=C(C=C4)F)O)C(=O)C(=O)N3CC5=CC=CO5
InChI
InChI=1S/C29H22FNO5/c30-22-12-8-21(9-13-22)27(32)25-26(31(29(34)28(25)33)17-24-7-4-16-35-24)20-10-14-23(15-11-20)36-18-19-5-2-1-3-6-19/h1-16,26,32H,17-18H2
InChIKey
MXNXMHQTXYBWQK-UHFFFAOYSA-N
Compound name
4-[(4-fluorophenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.1482 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.15548 214.9
[M+Na]+ 506.13742 221.0
[M-H]- 482.14092 228.2
[M+NH4]+ 501.18202 221.3
[M+K]+ 522.11136 215.4
[M+H-H2O]+ 466.14546 204.0
[M+HCOO]- 528.14640 232.0
[M+CH3COO]- 542.16205 223.0
[M+Na-2H]- 504.12287 208.5
[M]+ 483.14765 214.9
[M]- 483.14875 214.9
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.