CID 5281950

8-(1,1-dimethylallyl)galangin

Structural Information

Molecular Formula
C20H18O5
SMILES
CC(C)(C=C)C1=C(C=C(C2=C1OC(=C(C2=O)O)C3=CC=CC=C3)O)O
InChI
InChI=1S/C20H18O5/c1-4-20(2,3)15-13(22)10-12(21)14-16(23)17(24)18(25-19(14)15)11-8-6-5-7-9-11/h4-10,21-22,24H,1H2,2-3H3
InChIKey
VEXSVXVQCSMKRX-UHFFFAOYSA-N
Compound name
3,5,7-trihydroxy-8-(2-methylbut-3-en-2-yl)-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
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 178.3
[M+Na]+ 361.10464 188.2
[M-H]- 337.10814 183.9
[M+NH4]+ 356.14924 190.1
[M+K]+ 377.07858 184.0
[M+H-H2O]+ 321.11268 171.2
[M+HCOO]- 383.11362 194.4
[M+CH3COO]- 397.12927 207.9
[M+Na-2H]- 359.09009 182.6
[M]+ 338.11487 181.1
[M]- 338.11597 181.1
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