CID 54707716

37673-70-4

Structural Information

Molecular Formula
C16H21NO3
SMILES
CCOC(=O)C1=C(CCN(C1)CCC2=CC=CC=C2)O
InChI
InChI=1S/C16H21NO3/c1-2-20-16(19)14-12-17(11-9-15(14)18)10-8-13-6-4-3-5-7-13/h3-7,18H,2,8-12H2,1H3
InChIKey
LFHMJKIYXAJNOT-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.15213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15941 165.8
[M+Na]+ 298.14135 177.8
[M+NH4]+ 293.18595 172.7
[M+K]+ 314.11529 171.2
[M-H]- 274.14485 168.2
[M+Na-2H]- 296.12680 171.9
[M]+ 275.15158 168.0
[M]- 275.15268 168.0
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.