CID 44258473

5-allyloxysalvigenin

Structural Information

Molecular Formula
C21H20O6
SMILES
COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OCC=C
InChI
InChI=1S/C21H20O6/c1-5-10-26-21-19-15(22)11-16(13-6-8-14(23-2)9-7-13)27-17(19)12-18(24-3)20(21)25-4/h5-9,11-12H,1,10H2,2-4H3
InChIKey
KLDSXDLFNYDVLG-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2-(4-methoxyphenyl)-5-prop-2-enoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12598 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 184.6
[M+Na]+ 391.11520 194.8
[M-H]- 367.11870 193.8
[M+NH4]+ 386.15980 197.1
[M+K]+ 407.08914 192.9
[M+H-H2O]+ 351.12324 175.3
[M+HCOO]- 413.12418 206.7
[M+CH3COO]- 427.13983 219.2
[M+Na-2H]- 389.10065 188.7
[M]+ 368.12543 194.9
[M]- 368.12653 194.9
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.