CID 16429470

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

Structural Information

Molecular Formula
C26H31FN2O3
SMILES
CCC1=CC=C(C=C1)C2/C(=C(\C3=CC(=C(C=C3)C)F)/O)/C(=O)C(=O)N2CCN(CC)CC
InChI
InChI=1S/C26H31FN2O3/c1-5-18-9-12-19(13-10-18)23-22(24(30)20-11-8-17(4)21(27)16-20)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
HLNDCYHXXSJPFF-GYHWCHFESA-N
Compound name
(4Z)-1-[2-(diethylamino)ethyl]-5-(4-ethylphenyl)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.23187 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.23915 212.7
[M+Na]+ 461.22109 223.1
[M+NH4]+ 456.26569 217.0
[M+K]+ 477.19503 217.9
[M-H]- 437.22459 215.4
[M+Na-2H]- 459.20654 216.0
[M]+ 438.23132 214.6
[M]- 438.23242 214.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.