CID 145864731

Chebi:145870

Structural Information

Molecular Formula
C19H18O6
SMILES
CC1=CC(=O)C2=C(C(=C(C3=C2C1=C(C(=C3O)C(C)(C)C=C)O)O)O)O
InChI
InChI=1S/C19H18O6/c1-5-19(3,4)13-14(21)9-7(2)6-8(20)10-11(9)12(15(13)22)17(24)18(25)16(10)23/h5-6,21-25H,1H2,2-4H3
InChIKey
YOIRBHJUDLSLFJ-UHFFFAOYSA-N
Compound name
4,6,7,8,9-pentahydroxy-3-methyl-5-(2-methylbut-3-en-2-yl)phenalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.11035 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.117626 180.0
[M+Na]+ 365.099568 190.2
[M-H]- 341.103074 179.6
[M+NH4]+ 360.144173 193.6
[M+K]+ 381.073508 185.4
[M+H-H2O]+ 325.107610 175.2
[M+HCOO]- 387.108551 190.9
[M+CH3COO]- 401.124201 210.6
[M+Na-2H]- 363.085016 181.7
[M]+ 342.10980142 182.7
[M]- 342.11089858 182.7
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.