CID 136532049

2219408-24-7

Structural Information

Molecular Formula
C18H27BrN2O2
SMILES
CC(C)(C)OC(=O)NC1CCN(CC1)CCC2=CC(=CC=C2)Br
InChI
InChI=1S/C18H27BrN2O2/c1-18(2,3)23-17(22)20-16-8-11-21(12-9-16)10-7-14-5-4-6-15(19)13-14/h4-6,13,16H,7-12H2,1-3H3,(H,20,22)
InChIKey
NXLWDVRHKYSJJT-UHFFFAOYSA-N
Compound name
tert-butyl N-[1-[2-(3-bromophenyl)ethyl]piperidin-4-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.12558 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.13286 183.8
[M+Na]+ 405.11480 184.4
[M+NH4]+ 400.15940 186.8
[M+K]+ 421.08874 184.4
[M-H]- 381.11830 184.7
[M+Na-2H]- 403.10025 185.6
[M]+ 382.12503 182.8
[M]- 382.12613 182.8
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.