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]+ 387.10744 184.4
[M+Na]+ 409.08938 192.1
[M-H]- 385.09288 183.2
[M+NH4]+ 404.13398 197.1
[M+K]+ 425.06332 188.0
[M+H-H2O]+ 369.09742 178.7
[M+HCOO]- 431.09836 190.9
[M+CH3COO]- 445.11401 213.5
[M+Na-2H]- 407.07483 186.6
[M]+ 386.09961 183.0
[M]- 386.10071 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.