CID 14950775

138904-48-0

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

196
Patents

160.03851 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.04579 133.4
[M+Na]+ 183.02773 146.6
[M+NH4]+ 178.07233 137.3
[M+K]+ 199.00167 139.3
[M-H]- 159.03123 126.0
[M+Na-2H]- 181.01318 137.0
[M]+ 160.03796 132.2
[M]- 160.03906 132.2
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