CID 3146938

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

Structural Information

Molecular Formula
C27H32N2O5
SMILES
CCOC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4)O)C
InChI
InChI=1S/C27H32N2O5/c1-3-34-22-11-10-21(18-19(22)2)25(30)23-24(20-8-5-4-6-9-20)29(27(32)26(23)31)13-7-12-28-14-16-33-17-15-28/h4-6,8-11,18,24,30H,3,7,12-17H2,1-2H3
InChIKey
JTAOPEGKOSXTIX-UHFFFAOYSA-N
Compound name
4-[(4-ethoxy-3-methylphenyl)-hydroxymethylidene]-1-(3-morpholin-4-ylpropyl)-5-phenylpyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.2311 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.23838 215.4
[M+Na]+ 487.22032 218.4
[M-H]- 463.22382 223.7
[M+NH4]+ 482.26492 219.8
[M+K]+ 503.19426 213.7
[M+H-H2O]+ 447.22836 204.1
[M+HCOO]- 509.22930 226.7
[M+CH3COO]- 523.24495 233.4
[M+Na-2H]- 485.20577 208.6
[M]+ 464.23055 213.6
[M]- 464.23165 213.6
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.