CID 120029

2-butenedioic acid (2z)-, bis[2-(4-benzoyl-3-hydroxyphenoxy)ethyl] ester

Structural Information

Molecular Formula
C34H28O10
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCOC(=O)C=CC(=O)OCCOC3=CC(=C(C=C3)C(=O)C4=CC=CC=C4)O)O
InChI
InChI=1S/C34H28O10/c35-29-21-25(11-13-27(29)33(39)23-7-3-1-4-8-23)41-17-19-43-31(37)15-16-32(38)44-20-18-42-26-12-14-28(30(36)22-26)34(40)24-9-5-2-6-10-24/h1-16,21-22,35-36H,17-20H2
InChIKey
ORQSNBAZLUARPN-UHFFFAOYSA-N
Compound name
bis[2-(4-benzoyl-3-hydroxyphenoxy)ethyl] but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

596.1683 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 597.17558 239.6
[M+Na]+ 619.15752 251.1
[M+NH4]+ 614.20212 240.7
[M+K]+ 635.13146 245.8
[M-H]- 595.16102 243.1
[M+Na-2H]- 617.14297 246.2
[M]+ 596.16775 241.8
[M]- 596.16885 241.8
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.