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

3
Patents

300.09976 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.107036 165.2
[M+Na]+ 323.088978 176.7
[M-H]- 299.092484 169.6
[M+NH4]+ 318.133583 182.1
[M+K]+ 339.062918 173.3
[M+H-H2O]+ 283.097020 158.3
[M+HCOO]- 345.097961 185.8
[M+CH3COO]- 359.113611 203.3
[M+Na-2H]- 321.074426 171.5
[M]+ 300.09921142 172.7
[M]- 300.10030858 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

literature stripe

Patent stripe

patents stripe