CID 5737274

618074-64-9

Structural Information

Molecular Formula
C28H32N2O6
SMILES
CC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC(=C(C=C4)OCC=C)OC)/O
InChI
InChI=1S/C28H32N2O6/c1-4-15-36-22-10-9-21(18-23(22)34-3)25-24(26(31)20-7-5-19(2)6-8-20)27(32)28(33)30(25)12-11-29-13-16-35-17-14-29/h4-10,18,25,31H,1,11-17H2,2-3H3/b26-24+
InChIKey
OPQSPQJNBYZDSK-SHHOIMCASA-N
Compound name
(4E)-4-[hydroxy-(4-methylphenyl)methylidene]-5-(3-methoxy-4-prop-2-enoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

492.22604 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.23332 221.2
[M+Na]+ 515.21526 224.6
[M-H]- 491.21876 229.7
[M+NH4]+ 510.25986 224.4
[M+K]+ 531.18920 219.9
[M+H-H2O]+ 475.22330 209.8
[M+HCOO]- 537.22424 232.4
[M+CH3COO]- 551.23989 239.4
[M+Na-2H]- 513.20071 213.5
[M]+ 492.22549 220.8
[M]- 492.22659 220.8
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.