CID 3835265

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

Structural Information

Molecular Formula
C26H32N2O5
SMILES
CCN(CC)CCN1C(C(=C(C2=C(C=C(C=C2)OC)C)O)C(=O)C1=O)C3=CC=CC=C3OC
InChI
InChI=1S/C26H32N2O5/c1-6-27(7-2)14-15-28-23(20-10-8-9-11-21(20)33-5)22(25(30)26(28)31)24(29)19-13-12-18(32-4)16-17(19)3/h8-13,16,23,29H,6-7,14-15H2,1-5H3
InChIKey
OWSCWWCCHXMPAK-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-(2-methoxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.2311 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.23838 210.8
[M+Na]+ 475.22032 216.0
[M+NH4]+ 470.26492 219.3
[M+K]+ 491.19426 219.8
[M-H]- 451.22382 212.2
[M+Na-2H]- 473.20577 201.1
[M]+ 452.23055 229.3
[M]- 452.23165 239.7
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.