CID 14135385

3,6,7-trimethoxy-9,10-dihydrophenanthrene-2,5-diol

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=C(C(=C2C(=C1)CCC3=CC(=C(C=C32)OC)O)O)OC
InChI
InChI=1S/C17H18O5/c1-20-13-8-11-9(6-12(13)18)4-5-10-7-14(21-2)17(22-3)16(19)15(10)11/h6-8,18-19H,4-5H2,1-3H3
InChIKey
GJUWSRDWFFUHIB-UHFFFAOYSA-N
Compound name
3,6,7-trimethoxy-9,10-dihydrophenanthrene-2,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

302.11542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.122696 166.6
[M+Na]+ 325.104638 176.1
[M-H]- 301.108144 170.1
[M+NH4]+ 320.149243 183.2
[M+K]+ 341.078578 172.9
[M+H-H2O]+ 285.112680 159.9
[M+HCOO]- 347.113621 184.3
[M+CH3COO]- 361.129271 203.9
[M+Na-2H]- 323.090086 171.1
[M]+ 302.11487142 171.3
[M]- 302.11596858 171.3
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