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 186.3
[M+Na]+ 373.18865 189.3
[M-H]- 349.19215 193.1
[M+NH4]+ 368.23325 196.6
[M+K]+ 389.16259 184.1
[M+H-H2O]+ 333.19669 175.2
[M+HCOO]- 395.19763 205.5
[M+CH3COO]- 409.21328 215.8
[M+Na-2H]- 371.17410 188.4
[M]+ 350.19888 184.4
[M]- 350.19998 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