CID 75176258

Methyl 2,5-dichloro-6-(methylamino)pyrimidine-4-carboxylate

Structural Information

Molecular Formula
C7H7Cl2N3O2
SMILES
CNC1=NC(=NC(=C1Cl)C(=O)OC)Cl
InChI
InChI=1S/C7H7Cl2N3O2/c1-10-5-3(8)4(6(13)14-2)11-7(9)12-5/h1-2H3,(H,10,11,12)
InChIKey
ZYVWLVPPFQRKJO-UHFFFAOYSA-N
Compound name
methyl 2,5-dichloro-6-(methylamino)pyrimidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.99153 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.99881 143.1
[M+Na]+ 257.98075 154.2
[M-H]- 233.98425 144.2
[M+NH4]+ 253.02535 159.8
[M+K]+ 273.95469 150.2
[M+H-H2O]+ 217.98879 137.4
[M+HCOO]- 279.98973 156.6
[M+CH3COO]- 294.00538 190.8
[M+Na-2H]- 255.96620 148.2
[M]+ 234.99098 147.9
[M]- 234.99208 147.9
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.