CID 10447644

2,3-dimethoxy-10a-methyl-8-methylene-5,6,7,8a,9,10-hexahydroanthracene-1,4-dione

Structural Information

Molecular Formula
C18H22O4
SMILES
CC12CCCC(=C)C1CC3=C(C2)C(=O)C(=C(C3=O)OC)OC
InChI
InChI=1S/C18H22O4/c1-10-6-5-7-18(2)9-12-11(8-13(10)18)14(19)16(21-3)17(22-4)15(12)20/h13H,1,5-9H2,2-4H3
InChIKey
BXCIAOQSXHNBSF-UHFFFAOYSA-N
Compound name
2,3-dimethoxy-10a-methyl-8-methylidene-5,6,7,8a,9,10-hexahydroanthracene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.1518 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15908 166.9
[M+Na]+ 325.14102 175.0
[M-H]- 301.14452 171.8
[M+NH4]+ 320.18562 186.5
[M+K]+ 341.11496 171.4
[M+H-H2O]+ 285.14906 160.6
[M+HCOO]- 347.15000 181.8
[M+CH3COO]- 361.16565 208.2
[M+Na-2H]- 323.12647 169.2
[M]+ 302.15125 166.5
[M]- 302.15235 166.5
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

No patent data available for this compound.