CID 390050

Nsc686964

Structural Information

Molecular Formula
C19H16O5
SMILES
COC1=C2CCC(CC2=CC3=C1C(=O)C4=C(C3=O)C=CC=C4O)O
InChI
InChI=1S/C19H16O5/c1-24-19-11-6-5-10(20)7-9(11)8-13-16(19)18(23)15-12(17(13)22)3-2-4-14(15)21/h2-4,8,10,20-21H,5-7H2,1H3
InChIKey
XVJWWBRQLNXKLY-UHFFFAOYSA-N
Compound name
1,8-dihydroxy-11-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.09976 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.10704 170.2
[M+Na]+ 347.08898 179.3
[M-H]- 323.09248 174.2
[M+NH4]+ 342.13358 186.4
[M+K]+ 363.06292 174.5
[M+H-H2O]+ 307.09702 163.1
[M+HCOO]- 369.09796 184.1
[M+CH3COO]- 383.11361 180.8
[M+Na-2H]- 345.07443 174.2
[M]+ 324.09921 170.4
[M]- 324.10031 170.4
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.