CID 23400189

5-amino-1-(pyrimidin-2-yl)-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C8H8N6O
SMILES
C1=CN=C(N=C1)N2C(=C(C=N2)C(=O)N)N
InChI
InChI=1S/C8H8N6O/c9-6-5(7(10)15)4-13-14(6)8-11-2-1-3-12-8/h1-4H,9H2,(H2,10,15)
InChIKey
JQTCJFSLGHOBGE-UHFFFAOYSA-N
Compound name
5-amino-1-pyrimidin-2-ylpyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

204.07596 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.08324 142.1
[M+Na]+ 227.06518 151.4
[M-H]- 203.06868 143.9
[M+NH4]+ 222.10978 156.3
[M+K]+ 243.03912 148.0
[M+H-H2O]+ 187.07322 132.5
[M+HCOO]- 249.07416 164.3
[M+CH3COO]- 263.08981 154.1
[M+Na-2H]- 225.05063 147.3
[M]+ 204.07541 139.5
[M]- 204.07651 139.5
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