CID 508865

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

Structural Information

Molecular Formula
C24H29BrClN3O2
SMILES
CCC1=CC=C(C=C1)CN2CCC(CC2)CNC(=O)CNC(=O)C3=CC(=C(C=C3)Cl)Br
InChI
InChI=1S/C24H29BrClN3O2/c1-2-17-3-5-19(6-4-17)16-29-11-9-18(10-12-29)14-27-23(30)15-28-24(31)20-7-8-22(26)21(25)13-20/h3-8,13,18H,2,9-12,14-16H2,1H3,(H,27,30)(H,28,31)
InChIKey
NXHWAMFNEVVRQG-UHFFFAOYSA-N
Compound name
3-bromo-4-chloro-N-[2-[[1-[(4-ethylphenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

505.11316 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.12044 213.4
[M+Na]+ 528.10238 218.9
[M-H]- 504.10588 222.0
[M+NH4]+ 523.14698 222.6
[M+K]+ 544.07632 204.1
[M+H-H2O]+ 488.11042 209.1
[M+HCOO]- 550.11136 224.0
[M+CH3COO]- 564.12701 239.0
[M+Na-2H]- 526.08783 212.1
[M]+ 505.11261 230.6
[M]- 505.11371 230.6
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.