CID 3076329

Ethyl 4-anilino-1-(2-phenylethyl)-1,2,3,6-tetrahydropyridine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C22H26N2O2
SMILES
CCOC(=O)C1=C(CCN(C1)CCC2=CC=CC=C2)NC3=CC=CC=C3
InChI
InChI=1S/C22H26N2O2/c1-2-26-22(25)20-17-24(15-13-18-9-5-3-6-10-18)16-14-21(20)23-19-11-7-4-8-12-19/h3-12,23H,2,13-17H2,1H3
InChIKey
JCLLCBFHYOHXIT-UHFFFAOYSA-N
Compound name
ethyl 4-anilino-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

350.19943 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.20671 188.0
[M+Na]+ 373.18865 201.4
[M+NH4]+ 368.23325 195.5
[M+K]+ 389.16259 192.5
[M-H]- 349.19215 194.4
[M+Na-2H]- 371.17410 197.3
[M]+ 350.19888 191.7
[M]- 350.19998 191.7
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

patents stripe