CID 16429471

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

Structural Information

Molecular Formula
C27H33FN2O4
SMILES
CCCOC1=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/C27H33FN2O4/c1-5-16-34-21-12-10-19(11-13-21)24-23(25(31)20-9-8-18(4)22(28)17-20)26(32)27(33)30(24)15-14-29(6-2)7-3/h8-13,17,24,31H,5-7,14-16H2,1-4H3/b25-23-
InChIKey
PINBXBHBQTZINR-BZZOAKBMSA-N
Compound name
(4Z)-1-[2-(diethylamino)ethyl]-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(4-propoxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.24243 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.24971 219.8
[M+Na]+ 491.23165 229.4
[M+NH4]+ 486.27625 223.3
[M+K]+ 507.20559 224.5
[M-H]- 467.23515 221.9
[M+Na-2H]- 489.21710 222.4
[M]+ 468.24188 221.3
[M]- 468.24298 221.3
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.