CID 6293665

618074-05-8

Structural Information

Molecular Formula
C23H18FNO4
SMILES
CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CC=CO3)C4=CC=CC=C4)/O)F
InChI
InChI=1S/C23H18FNO4/c1-14-9-10-16(12-18(14)24)21(26)19-20(15-6-3-2-4-7-15)25(23(28)22(19)27)13-17-8-5-11-29-17/h2-12,20,26H,13H2,1H3/b21-19+
InChIKey
PHNYHNMTMPBGTL-XUTLUUPISA-N
Compound name
(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(furan-2-ylmethyl)-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.12198 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.12926 191.3
[M+Na]+ 414.11120 199.5
[M-H]- 390.11470 202.1
[M+NH4]+ 409.15580 202.6
[M+K]+ 430.08514 194.3
[M+H-H2O]+ 374.11924 182.5
[M+HCOO]- 436.12018 209.5
[M+CH3COO]- 450.13583 201.6
[M+Na-2H]- 412.09665 186.2
[M]+ 391.12143 190.8
[M]- 391.12253 190.8
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.