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]+ 309.12338 171.2
[M+Na]+ 331.10532 180.7
[M-H]- 307.10882 177.1
[M+NH4]+ 326.14992 186.1
[M+K]+ 347.07926 176.5
[M+H-H2O]+ 291.11336 162.3
[M+HCOO]- 353.11430 192.5
[M+CH3COO]- 367.12995 205.6
[M+Na-2H]- 329.09077 174.0
[M]+ 308.11555 176.3
[M]- 308.11665 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.