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]+ 343.11763 178.1
[M+Na]+ 365.09957 190.4
[M+NH4]+ 360.14417 183.2
[M+K]+ 381.07351 186.6
[M-H]- 341.10307 176.8
[M+Na-2H]- 363.08502 178.0
[M]+ 342.10980 179.4
[M]- 342.11090 179.4
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.