CID 45267920

3,5-dimethoxy-9,10-dihydrophenanthrene-2,7-diol

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC(=CC2=C1C3=CC(=C(C=C3CC2)O)OC)O
InChI
InChI=1S/C16H16O4/c1-19-14-8-12-9(6-13(14)18)3-4-10-5-11(17)7-15(20-2)16(10)12/h5-8,17-18H,3-4H2,1-2H3
InChIKey
BHEGXSNCDUBUFA-UHFFFAOYSA-N
Compound name
3,5-dimethoxy-9,10-dihydrophenanthrene-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

272.10486 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 159.0
[M+Na]+ 295.09408 168.3
[M-H]- 271.09758 162.4
[M+NH4]+ 290.13868 176.7
[M+K]+ 311.06802 164.5
[M+H-H2O]+ 255.10212 152.6
[M+HCOO]- 317.10306 177.0
[M+CH3COO]- 331.11871 197.3
[M+Na-2H]- 293.07953 164.6
[M]+ 272.10431 161.5
[M]- 272.10541 161.5
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