CID 4962038

851814-14-7

Structural Information

Molecular Formula
C18H16N2O3
SMILES
CCOC(=O)C(=O)C1=C(N=C2N1C=CC=C2)C3=CC=C(C=C3)C
InChI
InChI=1S/C18H16N2O3/c1-3-23-18(22)17(21)16-15(13-9-7-12(2)8-10-13)19-14-6-4-5-11-20(14)16/h4-11H,3H2,1-2H3
InChIKey
YWOUBJPQERHRGI-UHFFFAOYSA-N
Compound name
ethyl 2-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

308.1161 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.123376 171.2
[M+Na]+ 331.105318 180.7
[M-H]- 307.108824 177.1
[M+NH4]+ 326.149923 186.1
[M+K]+ 347.079258 176.5
[M+H-H2O]+ 291.113360 162.3
[M+HCOO]- 353.114301 192.5
[M+CH3COO]- 367.129951 205.6
[M+Na-2H]- 329.090766 174.0
[M]+ 308.11555142 176.3
[M]- 308.11664858 176.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.