CID 6474696

(e)-3-(2-amino-3-pyridyl)-1-(5-chloro-2-hydroxy-phenyl)prop-2-en-1-one

Structural Information

Molecular Formula
C14H11ClN2O2
SMILES
C1=CC(=C(N=C1)N)/C=C/C(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C14H11ClN2O2/c15-10-4-6-13(19)11(8-10)12(18)5-3-9-2-1-7-17-14(9)16/h1-8,19H,(H2,16,17)/b5-3+
InChIKey
YREHOXLAHUNHCP-HWKANZROSA-N
Compound name
(E)-3-(2-aminopyridin-3-yl)-1-(5-chloro-2-hydroxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.0509 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.05818 160.1
[M+Na]+ 297.04012 169.2
[M-H]- 273.04362 164.1
[M+NH4]+ 292.08472 174.7
[M+K]+ 313.01406 162.6
[M+H-H2O]+ 257.04816 153.0
[M+HCOO]- 319.04910 177.3
[M+CH3COO]- 333.06475 196.4
[M+Na-2H]- 295.02557 163.2
[M]+ 274.05035 160.3
[M]- 274.05145 160.3
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.