CID 16429373

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

Structural Information

Molecular Formula
C26H31FN2O5
SMILES
CCN(CC)CCN1C(/C(=C(\C2=CC(=C(C=C2)OC)F)/O)/C(=O)C1=O)C3=CC=C(C=C3)OCC
InChI
InChI=1S/C26H31FN2O5/c1-5-28(6-2)14-15-29-23(17-8-11-19(12-9-17)34-7-3)22(25(31)26(29)32)24(30)18-10-13-21(33-4)20(27)16-18/h8-13,16,23,30H,5-7,14-15H2,1-4H3/b24-22-
InChIKey
GQVVELUDEGIZJZ-GYHWCHFESA-N
Compound name
(4Z)-1-[2-(diethylamino)ethyl]-5-(4-ethoxyphenyl)-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.2217 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.22898 218.0
[M+Na]+ 493.21092 227.3
[M+NH4]+ 488.25552 221.1
[M+K]+ 509.18486 223.3
[M-H]- 469.21442 219.7
[M+Na-2H]- 491.19637 220.5
[M]+ 470.22115 219.3
[M]- 470.22225 219.3
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.