CID 5904161

618073-84-0

Structural Information

Molecular Formula
C24H18FN3O5
SMILES
CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])/O)F
InChI
InChI=1S/C24H18FN3O5/c1-14-4-5-17(11-19(14)25)22(29)20-21(16-6-8-18(9-7-16)28(32)33)27(24(31)23(20)30)13-15-3-2-10-26-12-15/h2-12,21,29H,13H2,1H3/b22-20+
InChIKey
YJBRZSDPBUUUTO-LSDHQDQOSA-N
Compound name
(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(4-nitrophenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.12305 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.13033 205.4
[M+Na]+ 470.11227 210.9
[M-H]- 446.11577 213.6
[M+NH4]+ 465.15687 210.9
[M+K]+ 486.08621 200.1
[M+H-H2O]+ 430.12031 197.7
[M+HCOO]- 492.12125 222.1
[M+CH3COO]- 506.13690 223.7
[M+Na-2H]- 468.09772 203.7
[M]+ 447.12250 201.1
[M]- 447.12360 201.1
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.