CID 22677481

Methyl 4-acetamido-3,6-dichloropyridine-2-carboxylate

Structural Information

Molecular Formula
C9H8Cl2N2O3
SMILES
CC(=O)NC1=CC(=NC(=C1Cl)C(=O)OC)Cl
InChI
InChI=1S/C9H8Cl2N2O3/c1-4(14)12-5-3-6(10)13-8(7(5)11)9(15)16-2/h3H,1-2H3,(H,12,13,14)
InChIKey
CSKIJJZFXAACON-UHFFFAOYSA-N
Compound name
methyl 4-acetamido-3,6-dichloropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
Patents

261.9912 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.99848 149.1
[M+Na]+ 284.98042 159.5
[M-H]- 260.98392 151.7
[M+NH4]+ 280.02502 166.1
[M+K]+ 300.95436 155.5
[M+H-H2O]+ 244.98846 144.3
[M+HCOO]- 306.98940 162.9
[M+CH3COO]- 321.00505 195.5
[M+Na-2H]- 282.96587 152.1
[M]+ 261.99065 154.5
[M]- 261.99175 154.5
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