CID 13259029

88571-06-6

Structural Information

Molecular Formula
C16H14ClN3O2
SMILES
CCOC(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=CC=CC=N3
InChI
InChI=1S/C16H14ClN3O2/c1-2-22-15(21)9-13-16(12-5-3-4-8-18-12)19-14-7-6-11(17)10-20(13)14/h3-8,10H,2,9H2,1H3
InChIKey
UAWJYOVKHDPWPP-UHFFFAOYSA-N
Compound name
ethyl 2-(6-chloro-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.07745 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.08473 170.7
[M+Na]+ 338.06667 182.0
[M-H]- 314.07017 175.0
[M+NH4]+ 333.11127 185.0
[M+K]+ 354.04061 175.8
[M+H-H2O]+ 298.07471 161.2
[M+HCOO]- 360.07565 187.1
[M+CH3COO]- 374.09130 182.4
[M+Na-2H]- 336.05212 174.9
[M]+ 315.07690 177.5
[M]- 315.07800 177.5
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.