CID 73828

Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate

Structural Information

Molecular Formula
C6H5Cl2N3O2
SMILES
COC(=O)C1=C(N=C(C(=N1)Cl)Cl)N
InChI
InChI=1S/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)
InChIKey
USYMCUGEGUFUBI-UHFFFAOYSA-N
Compound name
methyl 3-amino-5,6-dichloropyrazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

355
Patents

220.97588 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.983156 139.0
[M+Na]+ 243.965098 150.5
[M-H]- 219.968604 139.7
[M+NH4]+ 239.009703 156.0
[M+K]+ 259.939038 146.4
[M+H-H2O]+ 203.973140 133.5
[M+HCOO]- 265.974081 152.2
[M+CH3COO]- 279.989731 187.3
[M+Na-2H]- 241.950546 143.6
[M]+ 220.97533142 142.4
[M]- 220.97642858 142.4
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