CID 5769067

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

Structural Information

Molecular Formula
C23H26FN3O4
SMILES
CCN(CC)CCN1C(/C(=C(\C2=CC(=C(C=C2)OC)F)/O)/C(=O)C1=O)C3=CC=NC=C3
InChI
InChI=1S/C23H26FN3O4/c1-4-26(5-2)12-13-27-20(15-8-10-25-11-9-15)19(22(29)23(27)30)21(28)16-6-7-18(31-3)17(24)14-16/h6-11,14,20,28H,4-5,12-13H2,1-3H3/b21-19-
InChIKey
VEOCAVXVORRDAH-VZCXRCSSSA-N
Compound name
(4Z)-1-[2-(diethylamino)ethyl]-4-[(3-fluoro-4-methoxyphenyl)-hydroxymethylidene]-5-pyridin-4-ylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.19073 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.19801 202.6
[M+Na]+ 450.17995 208.6
[M-H]- 426.18345 208.6
[M+NH4]+ 445.22455 211.1
[M+K]+ 466.15389 203.8
[M+H-H2O]+ 410.18799 191.5
[M+HCOO]- 472.18893 219.7
[M+CH3COO]- 486.20458 232.6
[M+Na-2H]- 448.16540 197.5
[M]+ 427.19018 204.1
[M]- 427.19128 204.1
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.