CID 2762471

3-amino-2-chloropyridine-4-carboxamide

Structural Information

Molecular Formula
C6H6ClN3O
SMILES
C1=CN=C(C(=C1C(=O)N)N)Cl
InChI
InChI=1S/C6H6ClN3O/c7-5-4(8)3(6(9)11)1-2-10-5/h1-2H,8H2,(H2,9,11)
InChIKey
QWUCBIZSYQTOAO-UHFFFAOYSA-N
Compound name
3-amino-2-chloropyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
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

literature stripe

Patent stripe

patents stripe