CID 6284760

5-(4-ethylphenyl)-3-hydroxy-4-(4-isobutoxy-2-methylbenzoyl)-1-(3-morpholin-4-ylpropyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C31H40N2O5
SMILES
CCC1=CC=C(C=C1)C2/C(=C(/C3=C(C=C(C=C3)OCC(C)C)C)\O)/C(=O)C(=O)N2CCCN4CCOCC4
InChI
InChI=1S/C31H40N2O5/c1-5-23-7-9-24(10-8-23)28-27(29(34)26-12-11-25(19-22(26)4)38-20-21(2)3)30(35)31(36)33(28)14-6-13-32-15-17-37-18-16-32/h7-12,19,21,28,34H,5-6,13-18,20H2,1-4H3/b29-27+
InChIKey
GOEZPPIIOCDBJW-ORIPQNMZSA-N
Compound name
(4E)-5-(4-ethylphenyl)-4-[hydroxy-[2-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.2937 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.30098 232.1
[M+Na]+ 543.28292 233.8
[M-H]- 519.28642 240.0
[M+NH4]+ 538.32752 234.3
[M+K]+ 559.25686 229.0
[M+H-H2O]+ 503.29096 220.6
[M+HCOO]- 565.29190 240.9
[M+CH3COO]- 579.30755 247.2
[M+Na-2H]- 541.26837 221.6
[M]+ 520.29315 231.5
[M]- 520.29425 231.5
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.