CID 14950775

7-oxo-4h,7h-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Structural Information

Molecular Formula
C7H4N4O
SMILES
C1=CN=C2C(=CNN2C1=O)C#N
InChI
InChI=1S/C7H4N4O/c8-3-5-4-10-11-6(12)1-2-9-7(5)11/h1-2,4,10H
InChIKey
DQMFWVDDYHMRGL-UHFFFAOYSA-N
Compound name
7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

160.03851 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.045786 130.0
[M+Na]+ 183.027728 143.3
[M-H]- 159.031234 129.0
[M+NH4]+ 178.072333 146.9
[M+K]+ 199.001668 138.5
[M+H-H2O]+ 143.035770 115.6
[M+HCOO]- 205.036711 148.2
[M+CH3COO]- 219.052361 142.1
[M+Na-2H]- 181.013176 137.7
[M]+ 160.03796142 125.6
[M]- 160.03905858 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