CID 5748556

3-hydroxy-8,9-dimethoxycoumestan

Structural Information

Molecular Formula
C17H12O6
SMILES
COC1=C(C=C2C(=C1)C3=C(O2)C4=C(C=C(C=C4)O)OC3=O)OC
InChI
InChI=1S/C17H12O6/c1-20-13-6-10-12(7-14(13)21-2)22-16-9-4-3-8(18)5-11(9)23-17(19)15(10)16/h3-7,18H,1-2H3
InChIKey
PKLPURDVDNBFCI-UHFFFAOYSA-N
Compound name
3-hydroxy-8,9-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

312.0634 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07068 164.6
[M+Na]+ 335.05262 179.2
[M-H]- 311.05612 173.7
[M+NH4]+ 330.09722 181.8
[M+K]+ 351.02656 177.8
[M+H-H2O]+ 295.06066 158.5
[M+HCOO]- 357.06160 187.0
[M+CH3COO]- 371.07725 179.4
[M+Na-2H]- 333.03807 173.6
[M]+ 312.06285 176.8
[M]- 312.06395 176.8
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.