CID 136249061

5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile

Structural Information

Molecular Formula
C7H4N4O
SMILES
C1=CN2C(=C(C=N2)C#N)NC1=O
InChI
InChI=1S/C7H4N4O/c8-3-5-4-9-11-2-1-6(12)10-7(5)11/h1-2,4H,(H,10,12)
InChIKey
XRHFRTVUQRUCPE-UHFFFAOYSA-N
Compound name
5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

160.03851 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04579 130.0
[M+Na]+ 183.02773 143.3
[M-H]- 159.03123 129.0
[M+NH4]+ 178.07233 146.9
[M+K]+ 199.00167 138.5
[M+H-H2O]+ 143.03577 115.6
[M+HCOO]- 205.03671 148.2
[M+CH3COO]- 219.05236 142.1
[M+Na-2H]- 181.01318 137.7
[M]+ 160.03796 125.6
[M]- 160.03906 125.6
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