CID 118598557

4-amino-6-chloropyridine-3-carboxamide

Structural Information

Molecular Formula
C6H6ClN3O
SMILES
C1=C(C(=CN=C1Cl)C(=O)N)N
InChI
InChI=1S/C6H6ClN3O/c7-5-1-4(8)3(2-10-5)6(9)11/h1-2H,(H2,8,10)(H2,9,11)
InChIKey
LYCZIQFDLJZWEB-UHFFFAOYSA-N
Compound name
4-amino-6-chloropyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

171.01994 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.027216 132.2
[M+Na]+ 194.009158 141.8
[M-H]- 170.012664 134.3
[M+NH4]+ 189.053763 151.3
[M+K]+ 209.983098 138.1
[M+H-H2O]+ 154.017200 126.7
[M+HCOO]- 216.018141 152.1
[M+CH3COO]- 230.033791 181.6
[M+Na-2H]- 191.994606 137.3
[M]+ 171.01939142 130.8
[M]- 171.02048858 130.8
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

patents stripe