CID 508746

N-[3-[(1-benzyl-4-piperidyl)amino]-3-oxo-propyl]-3-bromo-benzamide

Structural Information

Molecular Formula
C22H26BrN3O2
SMILES
C1CN(CCC1NC(=O)CCNC(=O)C2=CC(=CC=C2)Br)CC3=CC=CC=C3
InChI
InChI=1S/C22H26BrN3O2/c23-19-8-4-7-18(15-19)22(28)24-12-9-21(27)25-20-10-13-26(14-11-20)16-17-5-2-1-3-6-17/h1-8,15,20H,9-14,16H2,(H,24,28)(H,25,27)
InChIKey
WOUBOTWGUFUTOJ-UHFFFAOYSA-N
Compound name
N-[3-[(1-benzylpiperidin-4-yl)amino]-3-oxopropyl]-3-bromobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.12085 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.12813 198.6
[M+Na]+ 466.11007 202.1
[M-H]- 442.11357 206.9
[M+NH4]+ 461.15467 208.5
[M+K]+ 482.08401 189.2
[M+H-H2O]+ 426.11811 193.7
[M+HCOO]- 488.11905 214.1
[M+CH3COO]- 502.13470 228.0
[M+Na-2H]- 464.09552 199.9
[M]+ 443.12030 212.0
[M]- 443.12140 212.0
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.