CID 5277396

Ethyl 4-chloro-6-(ethoxycarbonylamino)-3-nitro-pyridine-2-carboxylate

Structural Information

Molecular Formula
C11H12ClN3O6
SMILES
CCOC(=O)C1=C(C(=CC(=N1)NC(=O)OCC)Cl)[N+](=O)[O-]
InChI
InChI=1S/C11H12ClN3O6/c1-3-20-10(16)8-9(15(18)19)6(12)5-7(13-8)14-11(17)21-4-2/h5H,3-4H2,1-2H3,(H,13,14,17)
InChIKey
GZAODFZVORROGV-UHFFFAOYSA-N
Compound name
ethyl 4-chloro-6-(ethoxycarbonylamino)-3-nitropyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.04147 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.04875 164.4
[M+Na]+ 340.03069 171.5
[M-H]- 316.03419 167.1
[M+NH4]+ 335.07529 177.4
[M+K]+ 356.00463 165.7
[M+H-H2O]+ 300.03873 162.5
[M+HCOO]- 362.03967 183.9
[M+CH3COO]- 376.05532 199.3
[M+Na-2H]- 338.01614 168.9
[M]+ 317.04092 169.3
[M]- 317.04202 169.3
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.