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 180.0
[M+Na]+ 365.09957 190.2
[M-H]- 341.10307 179.6
[M+NH4]+ 360.14417 193.6
[M+K]+ 381.07351 185.4
[M+H-H2O]+ 325.10761 175.2
[M+HCOO]- 387.10855 190.9
[M+CH3COO]- 401.12420 210.6
[M+Na-2H]- 363.08502 181.7
[M]+ 342.10980 182.7
[M]- 342.11090 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.