CID 21906241

2-amino-n-(5-chloropyridin-2-yl)-5-methoxybenzamide

Structural Information

Molecular Formula
C13H12ClN3O2
SMILES
COC1=CC(=C(C=C1)N)C(=O)NC2=NC=C(C=C2)Cl
InChI
InChI=1S/C13H12ClN3O2/c1-19-9-3-4-11(15)10(6-9)13(18)17-12-5-2-8(14)7-16-12/h2-7H,15H2,1H3,(H,16,17,18)
InChIKey
GCCIHZVIPXGAPR-UHFFFAOYSA-N
Compound name
2-amino-N-(5-chloropyridin-2-yl)-5-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

277.0618 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.06908 160.6
[M+Na]+ 300.05102 169.4
[M-H]- 276.05452 166.0
[M+NH4]+ 295.09562 175.5
[M+K]+ 316.02496 164.4
[M+H-H2O]+ 260.05906 152.9
[M+HCOO]- 322.06000 180.5
[M+CH3COO]- 336.07565 201.7
[M+Na-2H]- 298.03647 165.1
[M]+ 277.06125 162.3
[M]- 277.06235 162.3
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