CID 44259656

8-desmethylkalmiatin

Structural Information

Molecular Formula
C19H18O6
SMILES
CC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)OC)OC
InChI
InChI=1S/C19H18O6/c1-10-13(23-3)9-14-15(16(10)20)17(21)19(24-4)18(25-14)11-5-7-12(22-2)8-6-11/h5-9,20H,1-4H3
InChIKey
DFXKVAVMILIIHO-UHFFFAOYSA-N
Compound name
5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-6-methylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.11035 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11763 176.8
[M+Na]+ 365.09957 188.1
[M-H]- 341.10307 185.5
[M+NH4]+ 360.14417 190.1
[M+K]+ 381.07351 186.5
[M+H-H2O]+ 325.10761 168.5
[M+HCOO]- 387.10855 197.9
[M+CH3COO]- 401.12420 213.1
[M+Na-2H]- 363.08502 180.9
[M]+ 342.10980 185.8
[M]- 342.11090 185.8
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.