CID 2938946

5-(4-ethylphenyl)-4-(3-fluoro-4-methoxybenzoyl)-3-hydroxy-1-[3-(morpholin-4-yl)propyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C27H31FN2O5
SMILES
CCC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)F)O)C(=O)C(=O)N2CCCN4CCOCC4
InChI
InChI=1S/C27H31FN2O5/c1-3-18-5-7-19(8-6-18)24-23(25(31)20-9-10-22(34-2)21(28)17-20)26(32)27(33)30(24)12-4-11-29-13-15-35-16-14-29/h5-10,17,24,31H,3-4,11-16H2,1-2H3
InChIKey
AKXOQYDQXQJBNP-UHFFFAOYSA-N
Compound name
5-(4-ethylphenyl)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.2217 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.22898 219.4
[M+Na]+ 505.21092 223.3
[M-H]- 481.21442 226.6
[M+NH4]+ 500.25552 223.2
[M+K]+ 521.18486 218.1
[M+H-H2O]+ 465.21896 207.3
[M+HCOO]- 527.21990 229.5
[M+CH3COO]- 541.23555 237.3
[M+Na-2H]- 503.19637 211.2
[M]+ 482.22115 217.0
[M]- 482.22225 217.0
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.