CID 5899572

618080-89-0

Structural Information

Molecular Formula
C29H38N2O6
SMILES
CCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)OC)\O)/C(=O)C(=O)N2CCN(CC)CC
InChI
InChI=1S/C29H38N2O6/c1-6-9-18-37-22-13-10-20(11-14-22)26-25(27(32)21-12-15-23(35-4)24(19-21)36-5)28(33)29(34)31(26)17-16-30(7-2)8-3/h10-15,19,26,32H,6-9,16-18H2,1-5H3/b27-25+
InChIKey
WXGDHLCJVZPZGZ-IMVLJIQESA-N
Compound name
(4E)-5-(4-butoxyphenyl)-1-[2-(diethylamino)ethyl]-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.27298 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.28026 227.9
[M+Na]+ 533.26220 237.2
[M+NH4]+ 528.30680 230.8
[M+K]+ 549.23614 233.2
[M-H]- 509.26570 230.7
[M+Na-2H]- 531.24765 230.3
[M]+ 510.27243 229.6
[M]- 510.27353 229.6
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.