CID 6474695

2'-hydroxy-5'-aminochalcone

Structural Information

Molecular Formula
C15H13NO2
SMILES
C1=CC=C(C=C1)/C=C/C(=O)C2=C(C=CC(=C2)N)O
InChI
InChI=1S/C15H13NO2/c16-12-7-9-15(18)13(10-12)14(17)8-6-11-4-2-1-3-5-11/h1-10,18H,16H2/b8-6+
InChIKey
PYSTWSTXHNFOJK-SOFGYWHQSA-N
Compound name
(E)-1-(5-amino-2-hydroxyphenyl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 153.9
[M+Na]+ 262.083858 161.0
[M-H]- 238.087364 159.0
[M+NH4]+ 257.128463 170.1
[M+K]+ 278.057798 156.0
[M+H-H2O]+ 222.091900 146.7
[M+HCOO]- 284.092841 176.7
[M+CH3COO]- 298.108491 191.8
[M+Na-2H]- 260.069306 157.6
[M]+ 239.09409142 151.3
[M]- 239.09518858 151.3
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.