CID 2591122

6-chloro-n-(2-ethoxyphenyl)nicotinamide

Structural Information

Molecular Formula
C14H13ClN2O2
SMILES
CCOC1=CC=CC=C1NC(=O)C2=CN=C(C=C2)Cl
InChI
InChI=1S/C14H13ClN2O2/c1-2-19-12-6-4-3-5-11(12)17-14(18)10-7-8-13(15)16-9-10/h3-9H,2H2,1H3,(H,17,18)
InChIKey
IGVZBUVKRBTAPC-UHFFFAOYSA-N
Compound name
6-chloro-N-(2-ethoxyphenyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.06656 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07384 160.1
[M+Na]+ 299.05578 168.4
[M-H]- 275.05928 165.5
[M+NH4]+ 294.10038 175.4
[M+K]+ 315.02972 163.5
[M+H-H2O]+ 259.06382 152.2
[M+HCOO]- 321.06476 179.2
[M+CH3COO]- 335.08041 199.0
[M+Na-2H]- 297.04123 165.5
[M]+ 276.06601 163.4
[M]- 276.06711 163.4
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.