CID 467784

Multiorthoquinone

Structural Information

Molecular Formula
C20H20O3
SMILES
CC1=C2C=CC3=C(C2=CC(=C1C)OC)C(=O)C(=O)C(=C3)C(C)C
InChI
InChI=1S/C20H20O3/c1-10(2)15-8-13-6-7-14-11(3)12(4)17(23-5)9-16(14)18(13)20(22)19(15)21/h6-10H,1-5H3
InChIKey
YJIHLYMLQOIPEU-UHFFFAOYSA-N
Compound name
6-methoxy-7,8-dimethyl-2-propan-2-ylphenanthrene-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

308.14124 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14852 169.9
[M+Na]+ 331.13046 180.5
[M-H]- 307.13396 176.2
[M+NH4]+ 326.17506 188.0
[M+K]+ 347.10440 176.3
[M+H-H2O]+ 291.13850 163.1
[M+HCOO]- 353.13944 188.6
[M+CH3COO]- 367.15509 213.8
[M+Na-2H]- 329.11591 171.7
[M]+ 308.14069 174.7
[M]- 308.14179 174.7
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.