CID 366051

Nsc634225

Structural Information

Molecular Formula
C24H16O7
SMILES
C1=CC=C(C=C1)C2=C(C3(C4C(C2C5C3C(=O)OC5=O)C(=O)OC4=O)O)C6=CC=CC=C6
InChI
InChI=1S/C24H16O7/c25-20-15-14-13(11-7-3-1-4-8-11)17(12-9-5-2-6-10-12)24(29,18(15)22(27)30-20)19-16(14)21(26)31-23(19)28/h1-10,14-16,18-19,29H
InChIKey
GWQMHYUJTIVKRW-UHFFFAOYSA-N
Compound name
1-hydroxy-13,14-diphenyl-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.0896 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.09688 182.6
[M+Na]+ 439.07882 189.9
[M-H]- 415.08232 192.3
[M+NH4]+ 434.12342 199.4
[M+K]+ 455.05276 187.6
[M+H-H2O]+ 399.08686 176.0
[M+HCOO]- 461.08780 191.9
[M+CH3COO]- 475.10345 192.6
[M+Na-2H]- 437.06427 185.3
[M]+ 416.08905 187.8
[M]- 416.09015 187.8
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.