CID 5788044

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

Structural Information

Molecular Formula
C26H25N3O4
SMILES
CC1=C(C=CC(=C1)OC(C)C)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CN=CC=C4)/O
InChI
InChI=1S/C26H25N3O4/c1-16(2)33-20-8-9-21(17(3)12-20)24(30)22-23(19-7-5-11-28-14-19)29(26(32)25(22)31)15-18-6-4-10-27-13-18/h4-14,16,23,30H,15H2,1-3H3/b24-22-
InChIKey
YJPYTHLOLBTEHK-GYHWCHFESA-N
Compound name
(4Z)-4-[hydroxy-(2-methyl-4-propan-2-yloxyphenyl)methylidene]-5-pyridin-3-yl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.1845 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.19178 208.9
[M+Na]+ 466.17372 222.7
[M+NH4]+ 461.21832 213.2
[M+K]+ 482.14766 218.1
[M-H]- 442.17722 213.4
[M+Na-2H]- 464.15917 215.9
[M]+ 443.18395 211.9
[M]- 443.18505 211.9
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.