CID 5939588

618076-01-0

Structural Information

Molecular Formula
C24H21FN4O5
SMILES
CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)[N+](=O)[O-])/O)F
InChI
InChI=1S/C24H21FN4O5/c1-15-3-4-17(13-19(15)25)22(30)20-21(16-5-7-18(8-6-16)29(33)34)28(24(32)23(20)31)11-2-10-27-12-9-26-14-27/h3-9,12-14,21,30H,2,10-11H2,1H3/b22-20+
InChIKey
KYOCPVPINUKOPC-LSDHQDQOSA-N
Compound name
(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.1496 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.15688 208.6
[M+Na]+ 487.13882 219.9
[M+NH4]+ 482.18342 211.4
[M+K]+ 503.11276 220.8
[M-H]- 463.14232 211.7
[M+Na-2H]- 485.12427 212.9
[M]+ 464.14905 210.4
[M]- 464.15015 210.4
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.