CID 16429465

4-(3-fluoro-4-methylbenzoyl)-1-(2-furylmethyl)-3-hydroxy-5-(4-hydroxyphenyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C23H18FNO5
SMILES
CC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CC=CO3)C4=CC=C(C=C4)O)/O)F
InChI
InChI=1S/C23H18FNO5/c1-13-4-5-15(11-18(13)24)21(27)19-20(14-6-8-16(26)9-7-14)25(23(29)22(19)28)12-17-3-2-10-30-17/h2-11,20,26-27H,12H2,1H3/b21-19-
InChIKey
NWIWNTZAGBVSJE-VZCXRCSSSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-(4-hydroxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.1169 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.12418 194.0
[M+Na]+ 430.10612 202.3
[M-H]- 406.10962 204.0
[M+NH4]+ 425.15072 204.2
[M+K]+ 446.08006 197.2
[M+H-H2O]+ 390.11416 185.7
[M+HCOO]- 452.11510 210.9
[M+CH3COO]- 466.13075 219.5
[M+Na-2H]- 428.09157 188.2
[M]+ 407.11635 193.7
[M]- 407.11745 193.7
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

No patent data available for this compound.