CID 3816050

1-[2-(diethylamino)ethyl]-5-(4-ethylphenyl)-3-hydroxy-4-(4-methoxy-3-methylbenzoyl)-2,5-dihydro-1h-pyrrol-2-one

Structural Information

Molecular Formula
C27H34N2O4
SMILES
CCC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)C)O)C(=O)C(=O)N2CCN(CC)CC
InChI
InChI=1S/C27H34N2O4/c1-6-19-9-11-20(12-10-19)24-23(25(30)21-13-14-22(33-5)18(4)17-21)26(31)27(32)29(24)16-15-28(7-2)8-3/h9-14,17,24,30H,6-8,15-16H2,1-5H3
InChIKey
AKMNZTXWKAHMGY-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-5-(4-ethylphenyl)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.25186 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.25914 212.7
[M+Na]+ 473.24108 217.7
[M-H]- 449.24458 221.0
[M+NH4]+ 468.28568 222.0
[M+K]+ 489.21502 213.0
[M+H-H2O]+ 433.24912 203.0
[M+HCOO]- 495.25006 230.8
[M+CH3COO]- 509.26571 240.4
[M+Na-2H]- 471.22653 205.5
[M]+ 450.25131 216.4
[M]- 450.25241 216.4
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.