CID 5912004

618072-93-8

Structural Information

Molecular Formula
C24H21FN4O6
SMILES
COC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC(=CC=C4)[N+](=O)[O-])/O)F
InChI
InChI=1S/C24H21FN4O6/c1-35-19-7-6-16(13-18(19)25)22(30)20-21(15-4-2-5-17(12-15)29(33)34)28(24(32)23(20)31)10-3-9-27-11-8-26-14-27/h2,4-8,11-14,21,30H,3,9-10H2,1H3/b22-20+
InChIKey
RMQKCWGIJJGKCR-LSDHQDQOSA-N
Compound name
(4E)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-imidazol-1-ylpropyl)-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.1445 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.15178 211.5
[M+Na]+ 503.13372 216.1
[M-H]- 479.13722 219.1
[M+NH4]+ 498.17832 216.1
[M+K]+ 519.10766 206.4
[M+H-H2O]+ 463.14176 204.3
[M+HCOO]- 525.14270 227.9
[M+CH3COO]- 539.15835 228.3
[M+Na-2H]- 501.11917 208.2
[M]+ 480.14395 209.8
[M]- 480.14505 209.8
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.