CID 9925515

5'-hydroxy-o-desmethylangolensin

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

274.08414 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.091416 159.6
[M+Na]+ 297.073358 166.8
[M-H]- 273.076864 161.8
[M+NH4]+ 292.117963 173.0
[M+K]+ 313.047298 163.1
[M+H-H2O]+ 257.081400 153.2
[M+HCOO]- 319.082341 176.7
[M+CH3COO]- 333.097991 191.9
[M+Na-2H]- 295.058806 160.0
[M]+ 274.08359142 158.5
[M]- 274.08468858 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