CID 5013064

85313-89-9

Structural Information

Molecular Formula
C19H16O4
SMILES
COC1=CC=CC2=C1C(=O)C3=C(C2=O)C=CC(=C3OC)CC=C
InChI
InChI=1S/C19H16O4/c1-4-6-11-9-10-13-16(19(11)23-3)18(21)15-12(17(13)20)7-5-8-14(15)22-2/h4-5,7-10H,1,6H2,2-3H3
InChIKey
CUOACMDJIPKRBT-UHFFFAOYSA-N
Compound name
1,8-dimethoxy-2-prop-2-enylanthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.10486 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.11214 167.9
[M+Na]+ 331.09408 178.5
[M-H]- 307.09758 173.9
[M+NH4]+ 326.13868 185.5
[M+K]+ 347.06802 173.9
[M+H-H2O]+ 291.10212 160.6
[M+HCOO]- 353.10306 188.3
[M+CH3COO]- 367.11871 210.1
[M+Na-2H]- 329.07953 172.1
[M]+ 308.10431 173.2
[M]- 308.10541 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.