CID 16429442

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

Structural Information

Molecular Formula
C26H31FN2O4
SMILES
CCC1=CC=C(C=C1)C2/C(=C(\C3=CC(=C(C=C3)OC)F)/O)/C(=O)C(=O)N2CCN(CC)CC
InChI
InChI=1S/C26H31FN2O4/c1-5-17-8-10-18(11-9-17)23-22(24(30)19-12-13-21(33-4)20(27)16-19)25(31)26(32)29(23)15-14-28(6-2)7-3/h8-13,16,23,30H,5-7,14-15H2,1-4H3/b24-22-
InChIKey
GHTZUSDZPSGXRU-GYHWCHFESA-N
Compound name
(4Z)-1-[2-(diethylamino)ethyl]-5-(4-ethylphenyl)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.22678 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.23406 211.6
[M+Na]+ 477.21600 217.2
[M-H]- 453.21950 218.8
[M+NH4]+ 472.26060 220.7
[M+K]+ 493.18994 212.1
[M+H-H2O]+ 437.22404 201.1
[M+HCOO]- 499.22498 229.0
[M+CH3COO]- 513.24063 240.1
[M+Na-2H]- 475.20145 204.3
[M]+ 454.22623 214.0
[M]- 454.22733 214.0
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.