CID 71507685

Tetarimycin a

Structural Information

Molecular Formula
C21H16O6
SMILES
CC1=CC(=CC2=C1C(=O)C3=C(C2=O)C(C4=C(C3=O)C(=CC(=C4)O)O)(C)C)O
InChI
InChI=1S/C21H16O6/c1-8-4-9(22)5-11-14(8)19(26)16-17(18(11)25)21(2,3)12-6-10(23)7-13(24)15(12)20(16)27/h4-7,22-24H,1-3H3
InChIKey
XQMPGQHPYUKJDG-UHFFFAOYSA-N
Compound name
2,4,9-trihydroxy-7,12,12-trimethyltetracene-5,6,11-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

364.0947 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.10198 182.6
[M+Na]+ 387.08392 197.5
[M+NH4]+ 382.12852 190.8
[M+K]+ 403.05786 189.4
[M-H]- 363.08742 184.3
[M+Na-2H]- 385.06937 185.6
[M]+ 364.09415 185.4
[M]- 364.09525 185.4
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.