CID 818212

4-amino-5-pyrimidinecarboxamide

Structural Information

Molecular Formula
C5H6N4O
SMILES
C1=C(C(=NC=N1)N)C(=O)N
InChI
InChI=1S/C5H6N4O/c6-4-3(5(7)10)1-8-2-9-4/h1-2H,(H2,7,10)(H2,6,8,9)
InChIKey
LHRPKQMNCPCVQL-UHFFFAOYSA-N
Compound name
4-aminopyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

138.05415 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.06143 125.8
[M+Na]+ 161.04337 134.2
[M-H]- 137.04687 126.4
[M+NH4]+ 156.08797 143.7
[M+K]+ 177.01731 132.5
[M+H-H2O]+ 121.05141 118.5
[M+HCOO]- 183.05235 149.3
[M+CH3COO]- 197.06800 176.3
[M+Na-2H]- 159.02882 132.9
[M]+ 138.05360 122.2
[M]- 138.05470 122.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe