CID 44600130

3,5,7-trimethoxyphenanthrene-2,6-diol

Structural Information

Molecular Formula
C17H16O5
SMILES
COC1=C(C(=C2C(=C1)C=CC3=CC(=C(C=C32)OC)O)OC)O
InChI
InChI=1S/C17H16O5/c1-20-13-8-11-9(6-12(13)18)4-5-10-7-14(21-2)16(19)17(22-3)15(10)11/h4-8,18-19H,1-3H3
InChIKey
UXEZMBCBKXCZBP-UHFFFAOYSA-N
Compound name
3,5,7-trimethoxyphenanthrene-2,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

300.09976 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.10704 165.2
[M+Na]+ 323.08898 176.7
[M-H]- 299.09248 169.6
[M+NH4]+ 318.13358 182.1
[M+K]+ 339.06292 173.3
[M+H-H2O]+ 283.09702 158.3
[M+HCOO]- 345.09796 185.8
[M+CH3COO]- 359.11361 203.3
[M+Na-2H]- 321.07443 171.5
[M]+ 300.09921 172.7
[M]- 300.10031 172.7
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.