CID 75176258

1423757-79-2

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 144.1
[M+Na]+ 257.98075 157.8
[M+NH4]+ 253.02535 151.2
[M+K]+ 273.95469 152.0
[M-H]- 233.98425 144.6
[M+Na-2H]- 255.96620 150.1
[M]+ 234.99098 146.6
[M]- 234.99208 146.6
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.