CID 342664

Nsc380202

Structural Information

Molecular Formula
C20H16O5
SMILES
COC1=C2C(=C(C3=C1CCCC3=O)OC)C(=O)C4=CC=CC=C4C2=O
InChI
InChI=1S/C20H16O5/c1-24-19-12-8-5-9-13(21)14(12)20(25-2)16-15(19)17(22)10-6-3-4-7-11(10)18(16)23/h3-4,6-7H,5,8-9H2,1-2H3
InChIKey
SIYCAEVVXVGDLS-UHFFFAOYSA-N
Compound name
5,12-dimethoxy-3,4-dihydro-2H-tetracene-1,6,11-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.09976 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 173.0
[M+Na]+ 359.08898 182.7
[M-H]- 335.09248 179.5
[M+NH4]+ 354.13358 189.9
[M+K]+ 375.06292 178.6
[M+H-H2O]+ 319.09702 164.9
[M+HCOO]- 381.09796 189.7
[M+CH3COO]- 395.11361 215.5
[M+Na-2H]- 357.07443 177.1
[M]+ 336.09921 176.1
[M]- 336.10031 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.