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 180.6
[M+Na]+ 387.08392 193.0
[M-H]- 363.08742 184.6
[M+NH4]+ 382.12852 197.2
[M+K]+ 403.05786 187.9
[M+H-H2O]+ 347.09196 174.1
[M+HCOO]- 409.09290 193.7
[M+CH3COO]- 423.10855 217.9
[M+Na-2H]- 385.06937 183.6
[M]+ 364.09415 183.6
[M]- 364.09525 183.6
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.