CID 16429258

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

Structural Information

Molecular Formula
C27H33FN2O4
SMILES
CCN(CC)CCN1C(/C(=C(\C2=CC(=C(C=C2)OC(C)C)C)/O)/C(=O)C1=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C27H33FN2O4/c1-6-29(7-2)14-15-30-24(19-8-11-21(28)12-9-19)23(26(32)27(30)33)25(31)20-10-13-22(18(5)16-20)34-17(3)4/h8-13,16-17,24,31H,6-7,14-15H2,1-5H3/b25-23-
InChIKey
DWNCDXREAGQZEF-BZZOAKBMSA-N
Compound name
(4Z)-1-[2-(diethylamino)ethyl]-5-(4-fluorophenyl)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.24243 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.24971 218.9
[M+Na]+ 491.23165 228.1
[M+NH4]+ 486.27625 222.2
[M+K]+ 507.20559 224.1
[M-H]- 467.23515 220.8
[M+Na-2H]- 489.21710 221.2
[M]+ 468.24188 220.3
[M]- 468.24298 220.3
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.