CID 3059524

Ethyl 3-oxo-6-phenyl-2,3,5,6,7,8-hexahydroimidazo(1,2-a)pyridine-2-propionate hcl

Structural Information

Molecular Formula
C18H22N2O3
SMILES
CCOC(=O)CCC1C(=O)N2CC(CCC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C18H22N2O3/c1-2-23-17(21)11-9-15-18(22)20-12-14(8-10-16(20)19-15)13-6-4-3-5-7-13/h3-7,14-15H,2,8-12H2,1H3
InChIKey
HVRQOWPZBJBCRU-UHFFFAOYSA-N
Compound name
ethyl 3-(3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.16306 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.17034 175.6
[M+Na]+ 337.15228 181.3
[M-H]- 313.15578 179.6
[M+NH4]+ 332.19688 189.9
[M+K]+ 353.12622 177.3
[M+H-H2O]+ 297.16032 166.4
[M+HCOO]- 359.16126 192.1
[M+CH3COO]- 373.17691 206.1
[M+Na-2H]- 335.13773 175.5
[M]+ 314.16251 175.5
[M]- 314.16361 175.5
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.