CID 49760176

(4-phenylpiperidin-4-ylmethyl)carbamic acid tert-butyl ester

Structural Information

Molecular Formula

C₁₇H₂₆N₂O₂

SMILES

CC(C)(C)OC(=O)NCC1(CCNCC1)C2=CC=CC=C2

InChI

InChI=1S/C17H26N2O2/c1-16(2,3)21-15(20)19-13-17(9-11-18-12-10-17)14-7-5-4-6-8-14/h4-8,18H,9-13H2,1-3H3,(H,19,20)

InChIKey

ZCLBJFOUCSBWAR-UHFFFAOYSA-N

Compound name

tert-butyl N-[(4-phenylpiperidin-4-yl)methyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 290.19943 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	291.206706	172.2
[M+Na]+	313.188648	174.7
[M-H]-	289.192154	174.8
[M+NH4]+	308.233253	186.8
[M+K]+	329.162588	171.5
[M+H-H2O]+	273.196690	164.6
[M+HCOO]-	335.197631	187.6
[M+CH3COO]-	349.213281	199.1
[M+Na-2H]-	311.174096	176.6
[M]+	290.19888142	167.2
[M]-	290.19997858	167.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe