CID 16428967

5-(4-chlorophenyl)-3-hydroxy-4-(4-isopropoxy-3-methylbenzoyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C27H25ClN2O4
SMILES
CC1=C(C=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)Cl)/O)OC(C)C
InChI
InChI=1S/C27H25ClN2O4/c1-16(2)34-22-11-8-20(13-17(22)3)25(31)23-24(19-6-9-21(28)10-7-19)30(27(33)26(23)32)15-18-5-4-12-29-14-18/h4-14,16,24,31H,15H2,1-3H3/b25-23-
InChIKey
OEAGTGVHOVJGFL-BZZOAKBMSA-N
Compound name
(4Z)-5-(4-chlorophenyl)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.1503 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.15758 215.6
[M+Na]+ 499.13952 230.7
[M+NH4]+ 494.18412 220.9
[M+K]+ 515.11346 224.7
[M-H]- 475.14302 221.0
[M+Na-2H]- 497.12497 222.6
[M]+ 476.14975 219.5
[M]- 476.15085 219.5
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.