CID 5942305

618080-63-0

Structural Information

Molecular Formula
C30H32N2O6
SMILES
CCCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)OC)\O)/C(=O)C(=O)N2CC4=CN=CC=C4
InChI
InChI=1S/C30H32N2O6/c1-4-5-6-16-38-23-12-9-21(10-13-23)27-26(28(33)22-11-14-24(36-2)25(17-22)37-3)29(34)30(35)32(27)19-20-8-7-15-31-18-20/h7-15,17-18,27,33H,4-6,16,19H2,1-3H3/b28-26+
InChIKey
DUDIWAZOEHKYGC-BYCLXTJYSA-N
Compound name
(4E)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.226 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.23328 229.4
[M+Na]+ 539.21522 242.2
[M+NH4]+ 534.25982 232.7
[M+K]+ 555.18916 236.8
[M-H]- 515.21872 233.8
[M+Na-2H]- 537.20067 234.9
[M]+ 516.22545 232.2
[M]- 516.22655 232.2
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.