CID 241128

2,6-dichloropyrimidine-4-carboxamide

Structural Information

Molecular Formula
C5H3Cl2N3O
SMILES
C1=C(N=C(N=C1Cl)Cl)C(=O)N
InChI
InChI=1S/C5H3Cl2N3O/c6-3-1-2(4(8)11)9-5(7)10-3/h1H,(H2,8,11)
InChIKey
AAERXGWZYRXPRQ-UHFFFAOYSA-N
Compound name
2,6-dichloropyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

128
Patents

190.96532 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.97260 132.3
[M+Na]+ 213.95454 146.3
[M+NH4]+ 208.99914 140.2
[M+K]+ 229.92848 140.4
[M-H]- 189.95804 133.2
[M+Na-2H]- 211.93999 139.1
[M]+ 190.96477 135.0
[M]- 190.96587 135.0
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