CID 5791822

618074-79-6

Structural Information

Molecular Formula
C22H22FN3O6
SMILES
CN(C)CCN1C(/C(=C(/C2=CC(=C(C=C2)OC)F)\O)/C(=O)C1=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C22H22FN3O6/c1-24(2)10-11-25-19(13-4-7-15(8-5-13)26(30)31)18(21(28)22(25)29)20(27)14-6-9-17(32-3)16(23)12-14/h4-9,12,19,27H,10-11H2,1-3H3/b20-18+
InChIKey
FIFMZSVJBLRFQG-CZIZESTLSA-N
Compound name
(4E)-1-[2-(dimethylamino)ethyl]-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.14926 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.15654 201.7
[M+Na]+ 466.13848 211.6
[M+NH4]+ 461.18308 204.8
[M+K]+ 482.11242 211.7
[M-H]- 442.14198 204.4
[M+Na-2H]- 464.12393 204.7
[M]+ 443.14871 203.2
[M]- 443.14981 203.2
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.