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

literature stripe

Patent stripe

patents stripe