CID 742041

69722-29-8

Structural Information

Molecular Formula
C11H12N4O2
SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC=CC=N2)N
InChI
InChI=1S/C11H12N4O2/c1-2-17-11(16)8-7-14-15(10(8)12)9-5-3-4-6-13-9/h3-7H,2,12H2,1H3
InChIKey
UPTKQJLYDVZTKJ-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-pyridin-2-ylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

32
Patents

232.09602 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.103296 150.5
[M+Na]+ 255.085238 159.2
[M-H]- 231.088744 153.5
[M+NH4]+ 250.129843 165.6
[M+K]+ 271.059178 156.3
[M+H-H2O]+ 215.093280 141.3
[M+HCOO]- 277.094221 172.8
[M+CH3COO]- 291.109871 191.1
[M+Na-2H]- 253.070686 154.5
[M]+ 232.09547142 151.4
[M]- 232.09656858 151.4
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

patents stripe