CID 6438213

Bis(2-(4-benzoyl-3-hydroxyphenoxy)ethyl) maleate

Structural Information

Molecular Formula
C34H28O10
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OCCOC(=O)/C=C\C(=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/b16-15-
InChIKey
ORQSNBAZLUARPN-NXVVXOECSA-N
Compound name
bis[2-(4-benzoyl-3-hydroxyphenoxy)ethyl] (Z)-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 239.5
[M+Na]+ 619.15752 239.6
[M-H]- 595.16102 247.8
[M+NH4]+ 614.20212 238.0
[M+K]+ 635.13146 237.6
[M+H-H2O]+ 579.16556 226.1
[M+HCOO]- 641.16650 254.2
[M+CH3COO]- 655.18215 252.7
[M+Na-2H]- 617.14297 234.9
[M]+ 596.16775 244.8
[M]- 596.16885 244.8
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.