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]+ 351.206706 186.3
[M+Na]+ 373.188648 189.3
[M-H]- 349.192154 193.1
[M+NH4]+ 368.233253 196.6
[M+K]+ 389.162588 184.1
[M+H-H2O]+ 333.196690 175.2
[M+HCOO]- 395.197631 205.5
[M+CH3COO]- 409.213281 215.8
[M+Na-2H]- 371.174096 188.4
[M]+ 350.19888142 184.4
[M]- 350.19997858 184.4
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