CID 6091733

618074-27-4

Structural Information

Molecular Formula
C23H22FNO5
SMILES
COCCN1C(/C(=C(/C2=CC=C(C=C2)OCC=C)\O)/C(=O)C1=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C23H22FNO5/c1-3-13-30-18-10-6-16(7-11-18)21(26)19-20(15-4-8-17(24)9-5-15)25(12-14-29-2)23(28)22(19)27/h3-11,20,26H,1,12-14H2,2H3/b21-19+
InChIKey
PJRVNPRBLMVGCR-XUTLUUPISA-N
Compound name
(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.1482 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.15548 196.5
[M+Na]+ 434.13742 203.4
[M-H]- 410.14092 202.4
[M+NH4]+ 429.18202 206.6
[M+K]+ 450.11136 197.5
[M+H-H2O]+ 394.14546 186.5
[M+HCOO]- 456.14640 213.7
[M+CH3COO]- 470.16205 223.1
[M+Na-2H]- 432.12287 191.5
[M]+ 411.14765 197.6
[M]- 411.14875 197.6
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.