CID 42647388

Ethyl 5-amino-1-(pyridin-3-yl)-1h-imidazole-4-carboxylate

Structural Information

Molecular Formula
C11H12N4O2
SMILES
CCOC(=O)C1=C(N(C=N1)C2=CN=CC=C2)N
InChI
InChI=1S/C11H12N4O2/c1-2-17-11(16)9-10(12)15(7-14-9)8-4-3-5-13-6-8/h3-7H,2,12H2,1H3
InChIKey
RJRFOAJQFLWZII-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-pyridin-3-ylimidazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.09602 Da
Monoisotopic Mass

1.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.