CID 5931054

488731-98-2

Structural Information

Molecular Formula
C31H33NO7
SMILES
CCOC1=C(C=CC(=C1)C2/C(=C(/C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)\O)/C(=O)C(=O)N2CCCOC)O
InChI
InChI=1S/C31H33NO7/c1-4-38-26-18-22(11-14-25(26)33)28-27(30(35)31(36)32(28)15-8-16-37-3)29(34)24-13-12-23(17-20(24)2)39-19-21-9-6-5-7-10-21/h5-7,9-14,17-18,28,33-34H,4,8,15-16,19H2,1-3H3/b29-27+
InChIKey
SVDAINOTKAMSHN-ORIPQNMZSA-N
Compound name
(4E)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.2257 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.23298 233.0
[M+Na]+ 554.21492 245.1
[M+NH4]+ 549.25952 236.0
[M+K]+ 570.18886 240.2
[M-H]- 530.21842 237.2
[M+Na-2H]- 552.20037 237.5
[M]+ 531.22515 235.6
[M]- 531.22625 235.6
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.