CID 23644580

4-chloro-n-(3-methoxypropyl)-n-[(3s)-1-(2-phenylethyl)piperidin-3-yl]benzamide

Structural Information

Molecular Formula
C24H31ClN2O2
SMILES
COCCCN([C@H]1CCCN(C1)CCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H31ClN2O2/c1-29-18-6-16-27(24(28)21-10-12-22(25)13-11-21)23-9-5-15-26(19-23)17-14-20-7-3-2-4-8-20/h2-4,7-8,10-13,23H,5-6,9,14-19H2,1H3/t23-/m0/s1
InChIKey
OOUGHDJEJNMXSV-QHCPKHFHSA-N
Compound name
4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

414.2074 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.21468 202.9
[M+Na]+ 437.19662 204.9
[M-H]- 413.20012 210.1
[M+NH4]+ 432.24122 212.0
[M+K]+ 453.17056 199.3
[M+H-H2O]+ 397.20466 191.7
[M+HCOO]- 459.20560 215.9
[M+CH3COO]- 473.22125 228.7
[M+Na-2H]- 435.18207 201.6
[M]+ 414.20685 203.9
[M]- 414.20795 203.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe