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]+ 287.091416 160.8
[M+Na]+ 309.073358 172.3
[M-H]- 285.076864 164.0
[M+NH4]+ 304.117963 177.5
[M+K]+ 325.047298 168.3
[M+H-H2O]+ 269.081400 154.4
[M+HCOO]- 331.082341 180.2
[M+CH3COO]- 345.097991 198.1
[M+Na-2H]- 307.058806 167.2
[M]+ 286.08359142 166.2
[M]- 286.08468858 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.