CID 90657378

(4s)-2-acetyl-3,4,8,10,11,12-hexahydroxy-1,4-dihydrotetracen-1-one

Structural Information

Molecular Formula
C20H14O8
SMILES
CC(=O)C1=C(C2=C(C=C3C=C4C=C(C=C(C4=C(C3=C2O)O)O)O)[C@@H](C1=O)O)O
InChI
InChI=1S/C20H14O8/c1-6(21)12-17(25)15-10(16(24)20(12)28)4-8-2-7-3-9(22)5-11(23)13(7)18(26)14(8)19(15)27/h2-5,16,22-27H,1H3/t16-/m0/s1
InChIKey
UXKKNKUINIYFDP-INIZCTEOSA-N
Compound name
(1S)-3-acetyl-1,4,5,6,7,9-hexahydroxy-1H-tetracen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

382.06888 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.07616 185.3
[M+Na]+ 405.05810 199.1
[M+NH4]+ 400.10270 190.2
[M+K]+ 421.03204 195.3
[M-H]- 381.06160 185.2
[M+Na-2H]- 403.04355 185.6
[M]+ 382.06833 187.0
[M]- 382.06943 187.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.