CID 79816104

1507137-28-1

Structural Information

Molecular Formula
C12H16N4O2
SMILES
CCOC(=O)CC1=NC2=C(N1)C=CC(=N2)N(C)C
InChI
InChI=1S/C12H16N4O2/c1-4-18-11(17)7-9-13-8-5-6-10(16(2)3)15-12(8)14-9/h5-6H,4,7H2,1-3H3,(H,13,14,15)
InChIKey
WRIFYPOJQJLFNU-UHFFFAOYSA-N
Compound name
ethyl 2-[5-(dimethylamino)-1H-imidazo[4,5-b]pyridin-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.12732 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.134596 156.0
[M+Na]+ 271.116538 165.0
[M-H]- 247.120044 157.3
[M+NH4]+ 266.161143 172.1
[M+K]+ 287.090478 162.6
[M+H-H2O]+ 231.124580 147.5
[M+HCOO]- 293.125521 177.3
[M+CH3COO]- 307.141171 197.1
[M+Na-2H]- 269.101986 160.9
[M]+ 248.12677142 160.4
[M]- 248.12786858 160.4
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.