CID 5863567

4-[4-(allyloxy)benzoyl]-5-(4-fluorophenyl)-3-hydroxy-1-(3-methoxypropyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C24H24FNO5
SMILES
COCCCN1C(/C(=C(/C2=CC=C(C=C2)OCC=C)\O)/C(=O)C1=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C24H24FNO5/c1-3-14-31-19-11-7-17(8-12-19)22(27)20-21(16-5-9-18(25)10-6-16)26(13-4-15-30-2)24(29)23(20)28/h3,5-12,21,27H,1,4,13-15H2,2H3/b22-20+
InChIKey
HEHXOMWACTVLGI-LSDHQDQOSA-N
Compound name
(4E)-5-(4-fluorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.16385 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.17113 200.9
[M+Na]+ 448.15307 207.4
[M-H]- 424.15657 206.7
[M+NH4]+ 443.19767 210.4
[M+K]+ 464.12701 201.3
[M+H-H2O]+ 408.16111 190.8
[M+HCOO]- 470.16205 217.8
[M+CH3COO]- 484.17770 226.0
[M+Na-2H]- 446.13852 195.5
[M]+ 425.16330 202.4
[M]- 425.16440 202.4
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.