CID 124720

60660-75-5

Structural Information

Molecular Formula
C20H16O7
SMILES
CC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)O)O
InChI
InChI=1S/C20H16O7/c1-8(21)20(27)6-11-13(12(22)7-20)19(26)15-14(18(11)25)16(23)9-4-2-3-5-10(9)17(15)24/h2-5,12,22,25-27H,6-7H2,1H3/t12-,20-/m0/s1
InChIKey
ZUFQFGSMHXKORU-YUNKPMOVSA-N
Compound name
(7S,9S)-9-acetyl-6,7,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

69
Patents

368.0896 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.09688 179.8
[M+Na]+ 391.07882 189.0
[M-H]- 367.08232 181.4
[M+NH4]+ 386.12342 194.7
[M+K]+ 407.05276 184.6
[M+H-H2O]+ 351.08686 173.7
[M+HCOO]- 413.08780 189.5
[M+CH3COO]- 427.10345 214.0
[M+Na-2H]- 389.06427 182.6
[M]+ 368.08905 179.5
[M]- 368.09015 179.5
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

patents stripe