CID 3059522

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

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CCOC(=O)C1C(=O)N2CC(CCC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C16H18N2O3/c1-2-21-16(20)14-15(19)18-10-12(8-9-13(18)17-14)11-6-4-3-5-7-11/h3-7,12,14H,2,8-10H2,1H3
InChIKey
DVQVNDGXRNGBQV-UHFFFAOYSA-N
Compound name
ethyl 3-oxo-6-phenyl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.13174 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.13902 166.5
[M+Na]+ 309.12096 173.2
[M-H]- 285.12446 170.9
[M+NH4]+ 304.16556 182.0
[M+K]+ 325.09490 169.6
[M+H-H2O]+ 269.12900 157.7
[M+HCOO]- 331.12994 183.7
[M+CH3COO]- 345.14559 200.1
[M+Na-2H]- 307.10641 167.5
[M]+ 286.13119 165.8
[M]- 286.13229 165.8
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.