CID 42607646

Tinosporinone

Structural Information

Molecular Formula
C19H18O6
SMILES
CC(C(=O)C1=CC2=C(C=C1)OCO2)C(=O)C3=C(C=C(C=C3)OC)OC
InChI
InChI=1S/C19H18O6/c1-11(18(20)12-4-7-15-17(8-12)25-10-24-15)19(21)14-6-5-13(22-2)9-16(14)23-3/h4-9,11H,10H2,1-3H3
InChIKey
YDGCLJLINDCFAM-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-2-methylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.11035 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 178.1
[M+Na]+ 365.09957 184.8
[M-H]- 341.10307 187.2
[M+NH4]+ 360.14417 191.2
[M+K]+ 381.07351 185.5
[M+H-H2O]+ 325.10761 171.2
[M+HCOO]- 387.10855 196.5
[M+CH3COO]- 401.12420 212.4
[M+Na-2H]- 363.08502 179.2
[M]+ 342.10980 184.8
[M]- 342.11090 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.