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]+ 315.170336 175.6
[M+Na]+ 337.152278 181.3
[M-H]- 313.155784 179.6
[M+NH4]+ 332.196883 189.9
[M+K]+ 353.126218 177.3
[M+H-H2O]+ 297.160320 166.4
[M+HCOO]- 359.161261 192.1
[M+CH3COO]- 373.176911 206.1
[M+Na-2H]- 335.137726 175.5
[M]+ 314.16251142 175.5
[M]- 314.16360858 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.