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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.