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]+ 387.122696 190.4
[M+Na]+ 409.104638 197.7
[M-H]- 385.108144 201.5
[M+NH4]+ 404.149243 199.8
[M+K]+ 425.078578 194.5
[M+H-H2O]+ 369.112680 179.9
[M+HCOO]- 431.113621 203.8
[M+CH3COO]- 445.129271 199.9
[M+Na-2H]- 407.090086 193.9
[M]+ 386.11487142 189.2
[M]- 386.11596858 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.