CID 424403

8-acetyl-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione

Structural Information

Molecular Formula
C20H16O5
SMILES
CC(=O)C1CCC2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O
InChI
InChI=1S/C20H16O5/c1-9(21)10-6-7-13-14(8-10)20(25)16-15(19(13)24)17(22)11-4-2-3-5-12(11)18(16)23/h2-5,10,24-25H,6-8H2,1H3
InChIKey
HIIVCLZCYLLSFS-UHFFFAOYSA-N
Compound name
8-acetyl-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

336.09976 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.10704 173.0
[M+Na]+ 359.08898 181.6
[M-H]- 335.09248 176.8
[M+NH4]+ 354.13358 188.5
[M+K]+ 375.06292 176.6
[M+H-H2O]+ 319.09702 166.0
[M+HCOO]- 381.09796 185.7
[M+CH3COO]- 395.11361 212.1
[M+Na-2H]- 357.07443 175.4
[M]+ 336.09921 172.2
[M]- 336.10031 172.2
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

patents stripe