CID 3302376

3-hydroxy-4-[3-methyl-4-(2-methylpropoxy)benzoyl]-1-[3-(morpholin-4-yl)propyl]-5-phenyl-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C29H36N2O5
SMILES
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4)O)OCC(C)C
InChI
InChI=1S/C29H36N2O5/c1-20(2)19-36-24-11-10-23(18-21(24)3)27(32)25-26(22-8-5-4-6-9-22)31(29(34)28(25)33)13-7-12-30-14-16-35-17-15-30/h4-6,8-11,18,20,26,32H,7,12-17,19H2,1-3H3
InChIKey
OHKTZOBMTRLYRB-UHFFFAOYSA-N
Compound name
4-[hydroxy-[3-methyl-4-(2-methylpropoxy)phenyl]methylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.26242 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.26970 223.3
[M+Na]+ 515.25164 225.1
[M-H]- 491.25514 231.3
[M+NH4]+ 510.29624 226.4
[M+K]+ 531.22558 220.6
[M+H-H2O]+ 475.25968 211.9
[M+HCOO]- 537.26062 232.9
[M+CH3COO]- 551.27627 240.1
[M+Na-2H]- 513.23709 214.5
[M]+ 492.26187 221.6
[M]- 492.26297 221.6
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.