CID 13842400

Calomelanol j

Structural Information

Molecular Formula
C24H18O5
SMILES
C1C(C2=C(C3=C(C=C2OC1=O)OC(CC3=O)C4=CC=CC=C4)O)C5=CC=CC=C5
InChI
InChI=1S/C24H18O5/c25-17-12-18(15-9-5-2-6-10-15)28-20-13-19-22(24(27)23(17)20)16(11-21(26)29-19)14-7-3-1-4-8-14/h1-10,13,16,18,27H,11-12H2
InChIKey
ZNAYOLWBEXMRIR-UHFFFAOYSA-N
Compound name
5-hydroxy-4,8-diphenyl-3,4,7,8-tetrahydropyrano[3,2-g]chromene-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.11542 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.12270 190.4
[M+Na]+ 409.10464 197.7
[M-H]- 385.10814 201.5
[M+NH4]+ 404.14924 199.8
[M+K]+ 425.07858 194.5
[M+H-H2O]+ 369.11268 179.9
[M+HCOO]- 431.11362 203.8
[M+CH3COO]- 445.12927 199.9
[M+Na-2H]- 407.09009 193.9
[M]+ 386.11487 189.2
[M]- 386.11597 189.2
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.