CID 6474694

2'-hydroxy-3-aminochalcone

Structural Information

Molecular Formula
C15H13NO2
SMILES
C1=CC=C(C(=C1)C(=O)/C=C/C2=CC(=CC=C2)N)O
InChI
InChI=1S/C15H13NO2/c16-12-5-3-4-11(10-12)8-9-15(18)13-6-1-2-7-14(13)17/h1-10,17H,16H2/b9-8+
InChIKey
XCIGUFGBFPACBM-CMDGGOBGSA-N
Compound name
(E)-3-(3-aminophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

239.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 153.9
[M+Na]+ 262.08386 161.0
[M-H]- 238.08736 159.0
[M+NH4]+ 257.12846 170.1
[M+K]+ 278.05780 156.0
[M+H-H2O]+ 222.09190 146.7
[M+HCOO]- 284.09284 176.7
[M+CH3COO]- 298.10849 191.8
[M+Na-2H]- 260.06931 157.6
[M]+ 239.09409 151.3
[M]- 239.09519 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.