CID 3072350

Brn 5838914

Structural Information

Molecular Formula
C26H20O8
SMILES
COC(=O)C1C(C2(C13C(=O)C=C(O3)C4=CC=CC=C4)C(=O)C=C(O2)C5=CC=CC=C5)C(=O)OC
InChI
InChI=1S/C26H20O8/c1-31-23(29)21-22(24(30)32-2)26(20(28)14-18(34-26)16-11-7-4-8-12-16)25(21)19(27)13-17(33-25)15-9-5-3-6-10-15/h3-14,21-22H,1-2H3
InChIKey
OBLAAFXTCWDHCU-UHFFFAOYSA-N
Compound name
dimethyl 1,10-dioxo-3,8-diphenyl-4,7-dioxadispiro[4.0.46.25]dodeca-2,8-diene-11,12-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.1158 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.123076 197.4
[M+Na]+ 483.105018 203.6
[M-H]- 459.108524 213.3
[M+NH4]+ 478.149623 204.3
[M+K]+ 499.078958 206.7
[M+H-H2O]+ 443.113060 187.2
[M+HCOO]- 505.114001 215.1
[M+CH3COO]- 519.129651 231.5
[M+Na-2H]- 481.090466 196.5
[M]+ 460.11525142 212.2
[M]- 460.11634858 212.2
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.