CID 6091631

618080-60-7

Structural Information

Molecular Formula
C30H32N2O7
SMILES
CCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)OC)\O)/C(=O)C(=O)N2CC4=CN=CC=C4)OC
InChI
InChI=1S/C30H32N2O7/c1-5-6-14-39-23-12-9-20(15-25(23)38-4)27-26(28(33)21-10-11-22(36-2)24(16-21)37-3)29(34)30(35)32(27)18-19-8-7-13-31-17-19/h7-13,15-17,27,33H,5-6,14,18H2,1-4H3/b28-26+
InChIKey
SBVGVFAXXSHWQG-BYCLXTJYSA-N
Compound name
(4E)-5-(4-butoxy-3-methoxyphenyl)-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.22095 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.22823 232.1
[M+Na]+ 555.21017 244.8
[M+NH4]+ 550.25477 234.8
[M+K]+ 571.18411 240.2
[M-H]- 531.21367 236.1
[M+Na-2H]- 553.19562 237.0
[M]+ 532.22040 234.8
[M]- 532.22150 234.8
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.