CID 42604751

3'-hydroxy-o-desmethylangolensin

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
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 161.2
[M+Na]+ 297.07336 173.2
[M+NH4]+ 292.11796 166.9
[M+K]+ 313.04730 169.5
[M-H]- 273.07686 162.3
[M+Na-2H]- 295.05881 166.3
[M]+ 274.08359 163.0
[M]- 274.08469 163.0
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