CID 5726198

Oprea1_413579

Structural Information

Molecular Formula
C25H30N2O5
SMILES
CCN(CC)CCN1C(/C(=C(/C2=CC=CC=C2)\O)/C(=O)C1=O)C3=C(C=C(C=C3)OC)OC
InChI
InChI=1S/C25H30N2O5/c1-5-26(6-2)14-15-27-22(19-13-12-18(31-3)16-20(19)32-4)21(24(29)25(27)30)23(28)17-10-8-7-9-11-17/h7-13,16,22,28H,5-6,14-15H2,1-4H3/b23-21+
InChIKey
DLXAWLDBNNUKIO-XTQSDGFTSA-N
Compound name
(4E)-1-[2-(diethylamino)ethyl]-5-(2,4-dimethoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

438.21548 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.22276 206.6
[M+Na]+ 461.20470 211.4
[M-H]- 437.20820 215.0
[M+NH4]+ 456.24930 216.0
[M+K]+ 477.17864 207.7
[M+H-H2O]+ 421.21274 196.8
[M+HCOO]- 483.21368 225.6
[M+CH3COO]- 497.22933 235.4
[M+Na-2H]- 459.19015 201.3
[M]+ 438.21493 210.7
[M]- 438.21603 210.7
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.