CID 508768

N-[2-[[1-[(4-chlorophenyl)methyl]-4-piperidyl]methylamino]-1-methyl-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C23H28ClN3O2
SMILES
CC(C(=O)NCC1CCN(CC1)CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H28ClN3O2/c1-17(26-23(29)20-5-3-2-4-6-20)22(28)25-15-18-11-13-27(14-12-18)16-19-7-9-21(24)10-8-19/h2-10,17-18H,11-16H2,1H3,(H,25,28)(H,26,29)
InChIKey
PSODOLGQULILFC-UHFFFAOYSA-N
Compound name
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.187 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19428 200.2
[M+Na]+ 436.17622 201.5
[M-H]- 412.17972 206.5
[M+NH4]+ 431.22082 208.4
[M+K]+ 452.15016 195.5
[M+H-H2O]+ 396.18426 189.9
[M+HCOO]- 458.18520 212.5
[M+CH3COO]- 472.20085 228.2
[M+Na-2H]- 434.16167 198.9
[M]+ 413.18645 197.4
[M]- 413.18755 197.4
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

No patent data available for this compound.