CID 122197270

Chembl3706501

Structural Information

Molecular Formula
C20H18O8
SMILES
C1C[C@@](CC2=C1C(=C3C(=C2O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)(C(CO)O)O
InChI
InChI=1S/C20H18O8/c21-7-12(23)20(28)5-4-8-10(6-20)18(26)14-15(16(8)24)19(27)13-9(17(14)25)2-1-3-11(13)22/h1-3,12,21-24,26,28H,4-7H2/t12?,20-/m1/s1
InChIKey
CFDPRVCIBVUZSE-VLFLDKFOSA-N
Compound name
(9R)-9-(1,2-dihydroxyethyl)-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.10016 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.107436 184.4
[M+Na]+ 409.089378 192.1
[M-H]- 385.092884 183.2
[M+NH4]+ 404.133983 197.1
[M+K]+ 425.063318 188.0
[M+H-H2O]+ 369.097420 178.7
[M+HCOO]- 431.098361 190.9
[M+CH3COO]- 445.114011 213.5
[M+Na-2H]- 407.074826 186.6
[M]+ 386.09961142 183.0
[M]- 386.10070858 183.0
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.