CID 5833506

618074-83-2

Structural Information

Molecular Formula
C22H23FN2O5
SMILES
CN(C)CCN1C(/C(=C(/C2=CC(=C(C=C2)OC)F)\O)/C(=O)C1=O)C3=CC(=CC=C3)O
InChI
InChI=1S/C22H23FN2O5/c1-24(2)9-10-25-19(13-5-4-6-15(26)11-13)18(21(28)22(25)29)20(27)14-7-8-17(30-3)16(23)12-14/h4-8,11-12,19,26-27H,9-10H2,1-3H3/b20-18+
InChIKey
IPTIQZBMQLDZSX-CZIZESTLSA-N
Compound name
(4E)-1-[2-(dimethylamino)ethyl]-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1591 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16638 200.9
[M+Na]+ 437.14832 210.5
[M+NH4]+ 432.19292 204.3
[M+K]+ 453.12226 207.7
[M-H]- 413.15182 202.2
[M+Na-2H]- 435.13377 203.7
[M]+ 414.15855 202.1
[M]- 414.15965 202.1
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.