CID 5914554

488732-72-5

Structural Information

Molecular Formula
C33H36N2O7
SMILES
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCN4CCOCC4)C5=CC(=C(C=C5)OC)OC)/O
InChI
InChI=1S/C33H36N2O7/c1-22-19-25(42-21-23-7-5-4-6-8-23)10-11-26(22)31(36)29-30(24-9-12-27(39-2)28(20-24)40-3)35(33(38)32(29)37)14-13-34-15-17-41-18-16-34/h4-12,19-20,30,36H,13-18,21H2,1-3H3/b31-29+
InChIKey
UWMHVHMFWIPGJZ-OWWNRXNESA-N
Compound name
(4E)-5-(3,4-dimethoxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(2-morpholin-4-ylethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

572.25226 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 573.25954 240.2
[M+Na]+ 595.24148 242.3
[M-H]- 571.24498 251.5
[M+NH4]+ 590.28608 239.3
[M+K]+ 611.21542 238.5
[M+H-H2O]+ 555.24952 226.8
[M+HCOO]- 617.25046 250.4
[M+CH3COO]- 631.26611 254.2
[M+Na-2H]- 593.22693 231.5
[M]+ 572.25171 240.9
[M]- 572.25281 240.9
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.