CID 10802118

3,4-dimethoxy-9,10-dihydrophenanthrene-2,5-diol

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=C(C=C2CCC3=C(C2=C1OC)C(=CC=C3)O)O
InChI
InChI=1S/C16H16O4/c1-19-15-12(18)8-10-7-6-9-4-3-5-11(17)13(9)14(10)16(15)20-2/h3-5,8,17-18H,6-7H2,1-2H3
InChIKey
UUZTXPMSHKENJH-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-9,10-dihydrophenanthrene-2,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
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