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 209.4
[M+Na]+ 487.13882 214.5
[M-H]- 463.14232 217.0
[M+NH4]+ 482.18342 214.9
[M+K]+ 503.11276 203.9
[M+H-H2O]+ 447.14686 202.3
[M+HCOO]- 509.14780 225.8
[M+CH3COO]- 523.16345 226.1
[M+Na-2H]- 485.12427 205.7
[M]+ 464.14905 206.4
[M]- 464.15015 206.4
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.