CID 6076396

618074-53-6

Structural Information

Molecular Formula
C24H19FN2O5
SMILES
COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CC=NC=C3)C4=CC(=CC=C4)O)/O)F
InChI
InChI=1S/C24H19FN2O5/c1-32-19-6-5-16(12-18(19)25)22(29)20-21(15-3-2-4-17(28)11-15)27(24(31)23(20)30)13-14-7-9-26-10-8-14/h2-12,21,28-29H,13H2,1H3/b22-20+
InChIKey
RZBAEZTZGAGGCN-LSDHQDQOSA-N
Compound name
(4E)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.1278 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.13508 207.0
[M+Na]+ 457.11702 219.9
[M+NH4]+ 452.16162 210.8
[M+K]+ 473.09096 215.6
[M-H]- 433.12052 210.0
[M+Na-2H]- 455.10247 212.8
[M]+ 434.12725 209.4
[M]- 434.12835 209.4
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.