CID 5772833

4-benzoyl-3-hydroxy-1-(3-morpholinopropyl)-5-(p-tolyl)-1h-pyrrol-2(5h)-one

Structural Information

Molecular Formula
C25H28N2O4
SMILES
CC1=CC=C(C=C1)C2/C(=C(/C3=CC=CC=C3)\O)/C(=O)C(=O)N2CCCN4CCOCC4
InChI
InChI=1S/C25H28N2O4/c1-18-8-10-19(11-9-18)22-21(23(28)20-6-3-2-4-7-20)24(29)25(30)27(22)13-5-12-26-14-16-31-17-15-26/h2-4,6-11,22,28H,5,12-17H2,1H3/b23-21+
InChIKey
YAJRKBWQTXINPW-XTQSDGFTSA-N
Compound name
(4E)-4-[hydroxy(phenyl)methylidene]-5-(4-methylphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.2049 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.21218 204.1
[M+Na]+ 443.19412 207.5
[M-H]- 419.19762 212.4
[M+NH4]+ 438.23872 210.2
[M+K]+ 459.16806 202.2
[M+H-H2O]+ 403.20216 193.0
[M+HCOO]- 465.20310 216.0
[M+CH3COO]- 479.21875 224.0
[M+Na-2H]- 441.17957 198.7
[M]+ 420.20435 199.9
[M]- 420.20545 199.9
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.