CID 36537

33531-52-1

Structural Information

Molecular Formula

C₁₄H₁₉BrN₂O₂

SMILES

CCN1CCCC(C1)OC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H19BrN2O2/c1-2-17-9-3-4-13(10-17)19-14(18)16-12-7-5-11(15)6-8-12/h5-8,13H,2-4,9-10H2,1H3,(H,16,18)

InChIKey

CDCOFPQIYLPBRQ-UHFFFAOYSA-N

Compound name

(1-ethylpiperidin-3-yl) N-(4-bromophenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 326.063 Da
Monoisotopic Mass: 3.2
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]+	327.070276	168.0
[M+Na]+	349.052218	175.3
[M-H]-	325.055724	174.7
[M+NH4]+	344.096823	184.0
[M+K]+	365.026158	164.2
[M+H-H2O]+	309.060260	165.6
[M+HCOO]-	371.061201	185.0
[M+CH3COO]-	385.076851	204.6
[M+Na-2H]-	347.037666	171.8
[M]+	326.06245142	183.5
[M]-	326.06354858	183.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.