CID 17535128

Ethyl 3-cyanopyrazolo[1,5-a]pyrimidine-7-carboxylate

Structural Information

Molecular Formula
C10H8N4O2
SMILES
CCOC(=O)C1=CC=NC2=C(C=NN12)C#N
InChI
InChI=1S/C10H8N4O2/c1-2-16-10(15)8-3-4-12-9-7(5-11)6-13-14(8)9/h3-4,6H,2H2,1H3
InChIKey
LFHGGGJZEGYNRG-UHFFFAOYSA-N
Compound name
ethyl 3-cyanopyrazolo[1,5-a]pyrimidine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.06473 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.072006 143.8
[M+Na]+ 239.053948 155.8
[M-H]- 215.057454 143.6
[M+NH4]+ 234.098553 159.0
[M+K]+ 255.027888 152.1
[M+H-H2O]+ 199.061990 128.5
[M+HCOO]- 261.062931 161.6
[M+CH3COO]- 275.078581 198.2
[M+Na-2H]- 237.039396 149.5
[M]+ 216.06418142 142.5
[M]- 216.06527858 142.5
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

No patent data available for this compound.