CID 6048670

4-benzoyl-3-hydroxy-5-(5-methyl-2-furyl)-1-[3-(4-morpholinyl)propyl]-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C23H26N2O5
SMILES
CC1=CC=C(O1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2CCCN4CCOCC4
InChI
InChI=1S/C23H26N2O5/c1-16-8-9-18(30-16)20-19(21(26)17-6-3-2-4-7-17)22(27)23(28)25(20)11-5-10-24-12-14-29-15-13-24/h2-4,6-9,20,26H,5,10-15H2,1H3/b21-19-
InChIKey
LKRLXCLBXUQUEA-VZCXRCSSSA-N
Compound name
(4Z)-4-[hydroxy(phenyl)methylidene]-5-(5-methylfuran-2-yl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.18417 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.191446 198.9
[M+Na]+ 433.173388 202.9
[M-H]- 409.176894 208.6
[M+NH4]+ 428.217993 206.0
[M+K]+ 449.147328 200.0
[M+H-H2O]+ 393.181430 190.0
[M+HCOO]- 455.182371 211.6
[M+CH3COO]- 469.198021 220.6
[M+Na-2H]- 431.158836 192.5
[M]+ 410.18362142 197.1
[M]- 410.18471858 197.1
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.