CID 46926145

Norsolorinic acid anthrone(1-)

Structural Information

Molecular Formula
C20H20O6
SMILES
CCCCCC(=O)C1=C(C=C2CC3=C(C(=CC(=C3)O)O)C(=O)C2=C1O)O
InChI
InChI=1S/C20H20O6/c1-2-3-4-5-13(22)18-14(23)8-11-6-10-7-12(21)9-15(24)16(10)19(25)17(11)20(18)26/h7-9,21,23-24,26H,2-6H2,1H3
InChIKey
CIFXLTLZYCPTJK-UHFFFAOYSA-N
Compound name
2-hexanoyl-1,3,6,8-tetrahydroxy-10H-anthracen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.12598 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 180.8
[M+Na]+ 379.11520 188.9
[M-H]- 355.11870 181.4
[M+NH4]+ 374.15980 193.6
[M+K]+ 395.08914 184.0
[M+H-H2O]+ 339.12324 174.5
[M+HCOO]- 401.12418 193.8
[M+CH3COO]- 415.13983 211.9
[M+Na-2H]- 377.10065 181.2
[M]+ 356.12543 182.8
[M]- 356.12653 182.8
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