CID 79474393

Ethyl 2-{1-ethyl-1h-imidazo[4,5-c]pyridin-2-yl}acetate hydrochloride

Structural Information

Molecular Formula
C12H15N3O2
SMILES
CCN1C2=C(C=NC=C2)N=C1CC(=O)OCC
InChI
InChI=1S/C12H15N3O2/c1-3-15-10-5-6-13-8-9(10)14-11(15)7-12(16)17-4-2/h5-6,8H,3-4,7H2,1-2H3
InChIKey
MATABIHFCLFOGX-UHFFFAOYSA-N
Compound name
ethyl 2-(1-ethylimidazo[4,5-c]pyridin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.11642 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.123696 152.1
[M+Na]+ 256.105638 162.4
[M-H]- 232.109144 153.2
[M+NH4]+ 251.150243 169.2
[M+K]+ 272.079578 159.5
[M+H-H2O]+ 216.113680 143.9
[M+HCOO]- 278.114621 173.4
[M+CH3COO]- 292.130271 191.3
[M+Na-2H]- 254.091086 157.5
[M]+ 233.11587142 157.8
[M]- 233.11696858 157.8
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.