CID 16429502

4-[4-(allyloxy)benzoyl]-5-(3,4-dichlorophenyl)-3-hydroxy-1-(3-pyridinylmethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C26H20Cl2N2O4
SMILES
C=CCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC(=C(C=C4)Cl)Cl)/O
InChI
InChI=1S/C26H20Cl2N2O4/c1-2-12-34-19-8-5-17(6-9-19)24(31)22-23(18-7-10-20(27)21(28)13-18)30(26(33)25(22)32)15-16-4-3-11-29-14-16/h2-11,13-14,23,31H,1,12,15H2/b24-22-
InChIKey
DVEFLFQNZJVFSW-GYHWCHFESA-N
Compound name
(4Z)-5-(3,4-dichlorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.08002 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.08730 216.7
[M+Na]+ 517.06924 225.3
[M-H]- 493.07274 225.1
[M+NH4]+ 512.11384 223.2
[M+K]+ 533.04318 216.1
[M+H-H2O]+ 477.07728 206.1
[M+HCOO]- 539.07822 223.8
[M+CH3COO]- 553.09387 234.4
[M+Na-2H]- 515.05469 210.7
[M]+ 494.07947 220.4
[M]- 494.08057 220.4
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.