CID 71597149

5,7-dimethoxyphenanthrene-1,2,3-triol

Structural Information

Molecular Formula
C16H14O5
SMILES
COC1=CC(=C2C(=C1)C=CC3=C(C(=C(C=C32)O)O)O)OC
InChI
InChI=1S/C16H14O5/c1-20-9-5-8-3-4-10-11(14(8)13(6-9)21-2)7-12(17)16(19)15(10)18/h3-7,17-19H,1-2H3
InChIKey
XBRWZGJRPNVSKC-UHFFFAOYSA-N
Compound name
5,7-dimethoxyphenanthrene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.08414 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.09142 160.8
[M+Na]+ 309.07336 172.3
[M-H]- 285.07686 164.0
[M+NH4]+ 304.11796 177.5
[M+K]+ 325.04730 168.3
[M+H-H2O]+ 269.08140 154.4
[M+HCOO]- 331.08234 180.2
[M+CH3COO]- 345.09799 198.1
[M+Na-2H]- 307.05881 167.2
[M]+ 286.08359 166.2
[M]- 286.08469 166.2
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.