CID 3147731

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

Structural Information

Molecular Formula
C26H32N2O6
SMILES
CCN(CC)CCN1C(C(=C(C2=C(C=C(C=C2)OC)C)O)C(=O)C1=O)C3=CC(=C(C=C3)O)OC
InChI
InChI=1S/C26H32N2O6/c1-6-27(7-2)12-13-28-23(17-8-11-20(29)21(15-17)34-5)22(25(31)26(28)32)24(30)19-10-9-18(33-4)14-16(19)3/h8-11,14-15,23,29-30H,6-7,12-13H2,1-5H3
InChIKey
NLCOVAATYOKHMQ-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]-5-(4-hydroxy-3-methoxyphenyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.22604 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.23332 215.7
[M+Na]+ 491.21526 225.4
[M+NH4]+ 486.25986 218.7
[M+K]+ 507.18920 222.6
[M-H]- 467.21876 218.1
[M+Na-2H]- 489.20071 217.9
[M]+ 468.22549 217.3
[M]- 468.22659 217.3
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.