CID 4989983

1-[2-(diethylamino)ethyl]-4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C25H29FN2O4
SMILES
CCN(CC)CCN1C(C(=C(C2=CC(=C(C=C2)C)F)O)C(=O)C1=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C25H29FN2O4/c1-5-27(6-2)13-14-28-22(17-9-11-19(32-4)12-10-17)21(24(30)25(28)31)23(29)18-8-7-16(3)20(26)15-18/h7-12,15,22,29H,5-6,13-14H2,1-4H3
InChIKey
OSQGNSLPRSKUQW-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.21112 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.21840 211.1
[M+Na]+ 463.20034 221.1
[M+NH4]+ 458.24494 214.9
[M+K]+ 479.17428 216.7
[M-H]- 439.20384 213.3
[M+Na-2H]- 461.18579 214.2
[M]+ 440.21057 212.7
[M]- 440.21167 212.7
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.