CID 44259657

Kalmiatin

Structural Information

Molecular Formula
C20H20O6
SMILES
CC1=C(C2=C(C(=C1OC)C)OC(=C(C2=O)OC)C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C20H20O6/c1-10-15(21)14-16(22)20(25-5)19(12-6-8-13(23-3)9-7-12)26-18(14)11(2)17(10)24-4/h6-9,21H,1-5H3
InChIKey
OVSZMXIVNBBARU-UHFFFAOYSA-N
Compound name
5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-6,8-dimethylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.12598 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.13326 181.4
[M+Na]+ 379.11520 193.1
[M-H]- 355.11870 190.3
[M+NH4]+ 374.15980 194.4
[M+K]+ 395.08914 191.4
[M+H-H2O]+ 339.12324 173.0
[M+HCOO]- 401.12418 202.0
[M+CH3COO]- 415.13983 217.5
[M+Na-2H]- 377.10065 184.2
[M]+ 356.12543 191.2
[M]- 356.12653 191.2
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.