CID 42647388

1160472-66-1

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]+ 233.10330 150.5
[M+Na]+ 255.08524 159.2
[M-H]- 231.08874 153.5
[M+NH4]+ 250.12984 165.6
[M+K]+ 271.05918 156.3
[M+H-H2O]+ 215.09328 141.3
[M+HCOO]- 277.09422 172.8
[M+CH3COO]- 291.10987 191.1
[M+Na-2H]- 253.07069 154.5
[M]+ 232.09547 151.4
[M]- 232.09657 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.