CID 16429189

4-[4-(allyloxy)-3-methylbenzoyl]-5-(4-fluorophenyl)-3-hydroxy-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C27H29FN2O5
SMILES
CC1=C(C=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)F)/O)OCC=C
InChI
InChI=1S/C27H29FN2O5/c1-3-14-35-22-9-6-20(17-18(22)2)25(31)23-24(19-4-7-21(28)8-5-19)30(27(33)26(23)32)11-10-29-12-15-34-16-13-29/h3-9,17,24,31H,1,10-16H2,2H3/b25-23-
InChIKey
XDQZDDMDDVIDBY-BZZOAKBMSA-N
Compound name
(4Z)-5-(4-fluorophenyl)-4-[hydroxy-(3-methyl-4-prop-2-enoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.20605 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.21333 218.4
[M+Na]+ 503.19527 222.6
[M-H]- 479.19877 225.6
[M+NH4]+ 498.23987 222.2
[M+K]+ 519.16921 216.8
[M+H-H2O]+ 463.20331 206.3
[M+HCOO]- 525.20425 228.7
[M+CH3COO]- 539.21990 236.8
[M+Na-2H]- 501.18072 210.2
[M]+ 480.20550 215.3
[M]- 480.20660 215.3
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.