CID 12110863

Nubigenol

Structural Information

Molecular Formula
C15H14O6
SMILES
C1=CC(=CC=C1CC(C(=O)C2=C(C=C(C=C2O)O)O)O)O
InChI
InChI=1S/C15H14O6/c16-9-3-1-8(2-4-9)5-13(20)15(21)14-11(18)6-10(17)7-12(14)19/h1-4,6-7,13,16-20H,5H2
InChIKey
NPOVZMYHKXTUAS-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

290.07904 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 162.8
[M+Na]+ 313.06826 169.3
[M-H]- 289.07176 163.6
[M+NH4]+ 308.11286 174.7
[M+K]+ 329.04220 165.6
[M+H-H2O]+ 273.07630 156.3
[M+HCOO]- 335.07724 178.5
[M+CH3COO]- 349.09289 192.1
[M+Na-2H]- 311.05371 162.8
[M]+ 290.07849 161.3
[M]- 290.07959 161.3
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

patents stripe