CID 508907

3-bromo-4-chloro-n-[2-[[1-[(4-methoxyphenyl)methyl]-4-piperidyl]methylamino]-2-oxo-ethyl]benzamide

Structural Information

Molecular Formula
C23H27BrClN3O3
SMILES
COC1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)Br
InChI
InChI=1S/C23H27BrClN3O3/c1-31-19-5-2-17(3-6-19)15-28-10-8-16(9-11-28)13-26-22(29)14-27-23(30)18-4-7-21(25)20(24)12-18/h2-7,12,16H,8-11,13-15H2,1H3,(H,26,29)(H,27,30)
InChIKey
PIKHTSMDJCTNBI-UHFFFAOYSA-N
Compound name
3-bromo-4-chloro-N-[2-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

507.09244 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.09972 210.8
[M+Na]+ 530.08166 216.4
[M-H]- 506.08516 219.6
[M+NH4]+ 525.12626 219.8
[M+K]+ 546.05560 202.6
[M+H-H2O]+ 490.08970 206.5
[M+HCOO]- 552.09064 221.9
[M+CH3COO]- 566.10629 238.3
[M+Na-2H]- 528.06711 210.2
[M]+ 507.09189 229.0
[M]- 507.09299 229.0
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.