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]+ 173.02246 131.9
[M+Na]+ 195.00440 142.0
[M-H]- 171.00790 132.7
[M+NH4]+ 190.04900 149.6
[M+K]+ 210.97834 138.4
[M+H-H2O]+ 155.01244 125.6
[M+HCOO]- 217.01338 150.8
[M+CH3COO]- 231.02903 181.4
[M+Na-2H]- 192.98985 137.7
[M]+ 172.01463 130.6
[M]- 172.01573 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