CID 240908

6-amino-2-chloropyrimidine-4-carboxamide

Structural Information

Molecular Formula
C5H5ClN4O
SMILES
C1=C(N=C(N=C1N)Cl)C(=O)N
InChI
InChI=1S/C5H5ClN4O/c6-5-9-2(4(8)11)1-3(7)10-5/h1H,(H2,8,11)(H2,7,9,10)
InChIKey
PDRDRMDVWPOPFZ-UHFFFAOYSA-N
Compound name
6-amino-2-chloropyrimidine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

172.01518 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.022456 131.9
[M+Na]+ 195.004398 142.0
[M-H]- 171.007904 132.7
[M+NH4]+ 190.049003 149.6
[M+K]+ 210.978338 138.4
[M+H-H2O]+ 155.012440 125.6
[M+HCOO]- 217.013381 150.8
[M+CH3COO]- 231.029031 181.4
[M+Na-2H]- 192.989846 137.7
[M]+ 172.01463142 130.6
[M]- 172.01572858 130.6
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

patents stripe