CID 136532049

Tert-butyl n-{1-[2-(3-bromophenyl)ethyl]piperidin-4-yl}carbamate

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 186.8
[M+Na]+ 405.11480 192.8
[M-H]- 381.11830 193.1
[M+NH4]+ 400.15940 200.7
[M+K]+ 421.08874 181.3
[M+H-H2O]+ 365.12284 184.2
[M+HCOO]- 427.12378 200.9
[M+CH3COO]- 441.13943 215.5
[M+Na-2H]- 403.10025 189.2
[M]+ 382.12503 203.0
[M]- 382.12613 203.0
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.