CID 139032969

2-chloro-n-(1-phenethylpiperidin-4-yl)-n-phenylpropanamide

Structural Information

Molecular Formula
C22H27ClN2O
SMILES
CC(C(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3)Cl
InChI
InChI=1S/C22H27ClN2O/c1-18(23)22(26)25(20-10-6-3-7-11-20)21-13-16-24(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,18,21H,12-17H2,1H3
InChIKey
QWBHMXNWOVMXPX-UHFFFAOYSA-N
Compound name
2-chloro-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.18118 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18846 190.5
[M+Na]+ 393.17040 192.4
[M-H]- 369.17390 197.8
[M+NH4]+ 388.21500 201.2
[M+K]+ 409.14434 187.0
[M+H-H2O]+ 353.17844 180.0
[M+HCOO]- 415.17938 203.1
[M+CH3COO]- 429.19503 220.6
[M+Na-2H]- 391.15585 189.9
[M]+ 370.18063 188.6
[M]- 370.18173 188.6
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.