CID 13259031

88571-08-8

Structural Information

Molecular Formula
C16H13Cl2N3O2
SMILES
CCOC(=O)CC1=C(N=C2N1C=C(C=C2)Cl)C3=NC=C(C=C3)Cl
InChI
InChI=1S/C16H13Cl2N3O2/c1-2-23-15(22)7-13-16(12-5-3-10(17)8-19-12)20-14-6-4-11(18)9-21(13)14/h3-6,8-9H,2,7H2,1H3
InChIKey
QDCIBKUFLWGJTJ-UHFFFAOYSA-N
Compound name
ethyl 2-[6-chloro-2-(5-chloro-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.03848 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.045756 176.1
[M+Na]+ 372.027698 188.5
[M-H]- 348.031204 179.8
[M+NH4]+ 367.072303 189.7
[M+K]+ 388.001638 181.4
[M+H-H2O]+ 332.035740 167.0
[M+HCOO]- 394.036681 187.2
[M+CH3COO]- 408.052331 187.2
[M+Na-2H]- 370.013146 178.8
[M]+ 349.03793142 184.3
[M]- 349.03902858 184.3
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.