CID 86576459

2-hydroxy-6,10-dimethoxy-1,7-dimethyl-1,2-dihydrophenanthrene-3,9-dione

Structural Information

Molecular Formula
C18H18O5
SMILES
CC1C(C(=O)C=C2C1=C(C(=O)C3=C2C=C(C(=C3)C)OC)OC)O
InChI
InChI=1S/C18H18O5/c1-8-5-12-10(7-14(8)22-3)11-6-13(19)16(20)9(2)15(11)18(23-4)17(12)21/h5-7,9,16,20H,1-4H3
InChIKey
PGOIXJQWWIQNHK-UHFFFAOYSA-N
Compound name
2-hydroxy-6,10-dimethoxy-1,7-dimethyl-1,2-dihydrophenanthrene-3,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

314.11542 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 168.4
[M+Na]+ 337.10464 179.2
[M-H]- 313.10814 173.5
[M+NH4]+ 332.14924 185.5
[M+K]+ 353.07858 175.8
[M+H-H2O]+ 297.11268 161.9
[M+HCOO]- 359.11362 186.0
[M+CH3COO]- 373.12927 210.8
[M+Na-2H]- 335.09009 170.6
[M]+ 314.11487 173.2
[M]- 314.11597 173.2
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.