CID 122163468

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

Structural Information

Molecular Formula
C10H8N4O2
SMILES
CCOC(=O)C1=C2N=C(C=CN2N=C1)C#N
InChI
InChI=1S/C10H8N4O2/c1-2-16-10(15)8-6-12-14-4-3-7(5-11)13-9(8)14/h3-4,6H,2H2,1H3
InChIKey
OWASETHGWNBXBJ-UHFFFAOYSA-N
Compound name
ethyl 5-cyanopyrazolo[1,5-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

216.06473 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07201 143.8
[M+Na]+ 239.05395 155.8
[M-H]- 215.05745 143.6
[M+NH4]+ 234.09855 159.0
[M+K]+ 255.02789 152.1
[M+H-H2O]+ 199.06199 128.5
[M+HCOO]- 261.06293 161.6
[M+CH3COO]- 275.07858 198.2
[M+Na-2H]- 237.03940 149.5
[M]+ 216.06418 142.5
[M]- 216.06528 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

No literature data available for this compound.

Patent stripe

patents stripe