CID 5768425

510712-20-6

Structural Information

Molecular Formula
C28H34N2O6
SMILES
CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)O)/O)OC(C)C
InChI
InChI=1S/C28H34N2O6/c1-18(2)36-23-10-7-21(17-19(23)3)26(32)24-25(20-5-8-22(31)9-6-20)30(28(34)27(24)33)12-4-11-29-13-15-35-16-14-29/h5-10,17-18,25,31-32H,4,11-16H2,1-3H3/b26-24+
InChIKey
ZBGPAEXSUIRZBX-SHHOIMCASA-N
Compound name
(4E)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-(4-hydroxyphenyl)-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.2417 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.24898 222.1
[M+Na]+ 517.23092 232.1
[M+NH4]+ 512.27552 225.0
[M+K]+ 533.20486 229.4
[M-H]- 493.23442 226.5
[M+Na-2H]- 515.21637 224.2
[M]+ 494.24115 224.3
[M]- 494.24225 224.3
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.