CID 10023135

Sculezonone a

Structural Information

Molecular Formula
C20H20O8
SMILES
CC1=CC(=C2C3=C1C(=C(C(=C3C(=O)C(C2=O)(C(C)(C)C(=O)C)O)O)OC)O)O
InChI
InChI=1S/C20H20O8/c1-7-6-9(22)11-12-10(7)14(23)16(28-5)15(24)13(12)18(26)20(27,17(11)25)19(3,4)8(2)21/h6,22-24,27H,1-5H3
InChIKey
ONTLROIXJXOWRQ-UHFFFAOYSA-N
Compound name
2,4,6,9-tetrahydroxy-5-methoxy-7-methyl-2-(2-methyl-3-oxobutan-2-yl)phenalene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

388.1158 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.12308 184.9
[M+Na]+ 411.10502 195.4
[M+NH4]+ 406.14962 190.0
[M+K]+ 427.07896 191.6
[M-H]- 387.10852 182.4
[M+Na-2H]- 409.09047 185.0
[M]+ 388.11525 185.6
[M]- 388.11635 185.6
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