CID 131162

Angoletin

Structural Information

Molecular Formula
C18H20O4
SMILES
CC1=C(C(=C(C(=C1O)C(=O)CCC2=CC=CC=C2)OC)C)O
InChI
InChI=1S/C18H20O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-8,20-21H,9-10H2,1-3H3
InChIKey
HBRYKWADRULLHU-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxy-6-methoxy-3,5-dimethylphenyl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

0
Patents

300.13617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.14345 169.0
[M+Na]+ 323.12539 177.3
[M-H]- 299.12889 173.9
[M+NH4]+ 318.16999 183.4
[M+K]+ 339.09933 173.4
[M+H-H2O]+ 283.13343 161.9
[M+HCOO]- 345.13437 189.0
[M+CH3COO]- 359.15002 203.4
[M+Na-2H]- 321.11084 169.4
[M]+ 300.13562 172.3
[M]- 300.13672 172.3
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.