CID 309156

2-phenoxy-n-(3-pyridinyl)acetamide

Structural Information

Molecular Formula
C13H12N2O2
SMILES
C1=CC=C(C=C1)OCC(=O)NC2=CN=CC=C2
InChI
InChI=1S/C13H12N2O2/c16-13(15-11-5-4-8-14-9-11)10-17-12-6-2-1-3-7-12/h1-9H,10H2,(H,15,16)
InChIKey
YERVZSCNCUXQAH-UHFFFAOYSA-N
Compound name
2-phenoxy-N-pyridin-3-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

228.08987 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.097146 149.2
[M+Na]+ 251.079088 155.3
[M-H]- 227.082594 154.3
[M+NH4]+ 246.123693 164.9
[M+K]+ 267.053028 152.3
[M+H-H2O]+ 211.087130 140.5
[M+HCOO]- 273.088071 173.3
[M+CH3COO]- 287.103721 190.0
[M+Na-2H]- 249.064536 157.2
[M]+ 228.08932142 149.1
[M]- 228.09041858 149.1
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