CID 2759351

Ethyl imidazo[1,2-a]pyrimidine-2-carboxylate

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CCOC(=O)C1=CN2C=CC=NC2=N1
InChI
InChI=1S/C9H9N3O2/c1-2-14-8(13)7-6-12-5-3-4-10-9(12)11-7/h3-6H,2H2,1H3
InChIKey
SORASSFGEFQWIH-UHFFFAOYSA-N
Compound name
ethyl imidazo[1,2-a]pyrimidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

26
Patents

191.06947 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 138.0
[M+Na]+ 214.05869 148.8
[M-H]- 190.06219 139.3
[M+NH4]+ 209.10329 156.6
[M+K]+ 230.03263 146.6
[M+H-H2O]+ 174.06673 130.1
[M+HCOO]- 236.06767 160.4
[M+CH3COO]- 250.08332 181.2
[M+Na-2H]- 212.04414 145.8
[M]+ 191.06892 142.3
[M]- 191.07002 142.3
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