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]+ 249.13460 156.0
[M+Na]+ 271.11654 165.0
[M-H]- 247.12004 157.3
[M+NH4]+ 266.16114 172.1
[M+K]+ 287.09048 162.6
[M+H-H2O]+ 231.12458 147.5
[M+HCOO]- 293.12552 177.3
[M+CH3COO]- 307.14117 197.1
[M+Na-2H]- 269.10199 160.9
[M]+ 248.12677 160.4
[M]- 248.12787 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.