CID 5281945

6-(3,3-dimethylallyl)galangin

Structural Information

Molecular Formula
C20H18O5
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC(=C(C2=O)O)C3=CC=CC=C3)O)C
InChI
InChI=1S/C20H18O5/c1-11(2)8-9-13-14(21)10-15-16(17(13)22)18(23)19(24)20(25-15)12-6-4-3-5-7-12/h3-8,10,21-22,24H,9H2,1-2H3
InChIKey
DLUFCWQGHRQRMG-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-6-(3-methylbut-2-enyl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

338.11542 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12270 178.4
[M+Na]+ 361.10464 187.7
[M-H]- 337.10814 183.9
[M+NH4]+ 356.14924 190.2
[M+K]+ 377.07858 183.4
[M+H-H2O]+ 321.11268 170.8
[M+HCOO]- 383.11362 195.1
[M+CH3COO]- 397.12927 207.7
[M+Na-2H]- 359.09009 180.4
[M]+ 338.11487 181.0
[M]- 338.11597 181.0
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

patents stripe