CID 14680315

2-hydroxymaackiain

Structural Information

Molecular Formula
C16H12O6
SMILES
C1C2C(C3=CC(=C(C=C3O1)O)O)OC4=CC5=C(C=C24)OCO5
InChI
InChI=1S/C16H12O6/c17-10-1-8-12(3-11(10)18)19-5-9-7-2-14-15(21-6-20-14)4-13(7)22-16(8)9/h1-4,9,16-18H,5-6H2
InChIKey
QNMYAYDPWHAXCP-UHFFFAOYSA-N
Compound name
5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-15,16-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.0634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.07068 158.6
[M+Na]+ 323.05262 168.7
[M-H]- 299.05612 166.8
[M+NH4]+ 318.09722 175.0
[M+K]+ 339.02656 168.8
[M+H-H2O]+ 283.06066 155.7
[M+HCOO]- 345.06160 171.2
[M+CH3COO]- 359.07725 171.3
[M+Na-2H]- 321.03807 164.7
[M]+ 300.06285 163.1
[M]- 300.06395 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.