CID 20601635

6'-hydroxy-o-desmethylangolensin

Structural Information

Molecular Formula
C15H14O5
SMILES
CC(C1=CC=C(C=C1)O)C(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C15H14O5/c1-8(9-2-4-10(16)5-3-9)15(20)14-12(18)6-11(17)7-13(14)19/h2-8,16-19H,1H3
InChIKey
IEFUAUZFJJOQMC-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

53
Patents

274.08414 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09142 159.6
[M+Na]+ 297.07336 166.8
[M-H]- 273.07686 161.8
[M+NH4]+ 292.11796 173.0
[M+K]+ 313.04730 163.1
[M+H-H2O]+ 257.08140 153.2
[M+HCOO]- 319.08234 176.7
[M+CH3COO]- 333.09799 191.9
[M+Na-2H]- 295.05881 160.0
[M]+ 274.08359 158.5
[M]- 274.08469 158.5
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