CID 3779751

5-(3,4-dichlorophenyl)-3-hydroxy-1-(2-methoxyethyl)-4-[4-(prop-2-en-1-yloxy)benzoyl]-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C23H21Cl2NO5
SMILES
COCCN1C(C(=C(C2=CC=C(C=C2)OCC=C)O)C(=O)C1=O)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C23H21Cl2NO5/c1-3-11-31-16-7-4-14(5-8-16)21(27)19-20(15-6-9-17(24)18(25)13-15)26(10-12-30-2)23(29)22(19)28/h3-9,13,20,27H,1,10-12H2,2H3
InChIKey
CCNWVVSYNLLGQO-UHFFFAOYSA-N
Compound name
5-(3,4-dichlorophenyl)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.07968 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.08696 205.8
[M+Na]+ 484.06890 214.8
[M-H]- 460.07240 212.8
[M+NH4]+ 479.11350 215.8
[M+K]+ 500.04284 206.9
[M+H-H2O]+ 444.07694 198.3
[M+HCOO]- 506.07788 214.6
[M+CH3COO]- 520.09353 229.0
[M+Na-2H]- 482.05435 199.9
[M]+ 461.07913 212.0
[M]- 461.08023 212.0
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.