CID 44572330

2,7-dihydroxy-4,6-dimethoxyphenanthrene

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=C2C(=CC(=C1)O)C=CC3=CC(=C(C=C32)OC)O
InChI
InChI=1S/C16H14O4/c1-19-14-8-12-9(6-13(14)18)3-4-10-5-11(17)7-15(20-2)16(10)12/h3-8,17-18H,1-2H3
InChIKey
YKFWCNBTQYCJQV-UHFFFAOYSA-N
Compound name
3,5-dimethoxyphenanthrene-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

270.0892 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 157.4
[M+Na]+ 293.07842 168.8
[M-H]- 269.08192 161.7
[M+NH4]+ 288.12302 175.4
[M+K]+ 309.05236 164.7
[M+H-H2O]+ 253.08646 150.9
[M+HCOO]- 315.08740 178.3
[M+CH3COO]- 329.10305 196.7
[M+Na-2H]- 291.06387 164.9
[M]+ 270.08865 162.8
[M]- 270.08975 162.8
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