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

176
Patents

220.97588 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.98316 139.0
[M+Na]+ 243.96510 150.5
[M-H]- 219.96860 139.7
[M+NH4]+ 239.00970 156.0
[M+K]+ 259.93904 146.4
[M+H-H2O]+ 203.97314 133.5
[M+HCOO]- 265.97408 152.2
[M+CH3COO]- 279.98973 187.3
[M+Na-2H]- 241.95055 143.6
[M]+ 220.97533 142.4
[M]- 220.97643 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