CID 312630

Methyl 6-amino-2,5-dichloropyrimidine-4-carboxylate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

220.97588 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe