CID 13259030

88571-07-7

Structural Information

Molecular Formula
C17H16ClN3O2
SMILES
CCOC(=O)CC1=C(N=C2N1C=C(C=C2)C)C3=NC=C(C=C3)Cl
InChI
InChI=1S/C17H16ClN3O2/c1-3-23-16(22)8-14-17(13-6-5-12(18)9-19-13)20-15-7-4-11(2)10-21(14)15/h4-7,9-10H,3,8H2,1-2H3
InChIKey
DYGAQLHSEFUWEU-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(5-chloro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0931 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.100376 175.6
[M+Na]+ 352.082318 187.4
[M-H]- 328.085824 180.1
[M+NH4]+ 347.126923 189.6
[M+K]+ 368.056258 181.0
[M+H-H2O]+ 312.090360 166.2
[M+HCOO]- 374.091301 191.7
[M+CH3COO]- 388.106951 187.2
[M+Na-2H]- 350.067766 178.6
[M]+ 329.09255142 183.1
[M]- 329.09364858 183.1
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.