CID 44259049

Calomelanol d

Structural Information

Molecular Formula
C24H16O7
SMILES
C1C(C2=C(C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)OC1=O)C5=CC=CC=C5
InChI
InChI=1S/C24H16O7/c25-14-8-6-13(7-9-14)23-22(29)21(28)20-16(26)11-17-19(24(20)31-23)15(10-18(27)30-17)12-4-2-1-3-5-12/h1-9,11,15,25-26,29H,10H2
InChIKey
GQAGUHWGUCXTSY-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-2-(4-hydroxyphenyl)-10-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.0896 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.09688 196.8
[M+Na]+ 439.07882 206.2
[M-H]- 415.08232 206.9
[M+NH4]+ 434.12342 204.1
[M+K]+ 455.05276 203.5
[M+H-H2O]+ 399.08686 186.5
[M+HCOO]- 461.08780 210.1
[M+CH3COO]- 475.10345 206.2
[M+Na-2H]- 437.06427 200.4
[M]+ 416.08905 198.9
[M]- 416.09015 198.9
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.