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 165.3
[M+Na]+ 298.14135 170.2
[M-H]- 274.14485 168.5
[M+NH4]+ 293.18595 179.1
[M+K]+ 314.11529 166.8
[M+H-H2O]+ 258.14939 156.8
[M+HCOO]- 320.15033 183.1
[M+CH3COO]- 334.16598 196.6
[M+Na-2H]- 296.12680 167.2
[M]+ 275.15158 164.5
[M]- 275.15268 164.5
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.