CID 35901

31755-20-1

Structural Information

Molecular Formula

C₁₆H₂₃ClN₂O₂

SMILES

CCCN1CCCC(C1)OC(=O)NC2=C(C=CC=C2Cl)C

InChI

InChI=1S/C16H23ClN2O2/c1-3-9-19-10-5-7-13(11-19)21-16(20)18-15-12(2)6-4-8-14(15)17/h4,6,8,13H,3,5,7,9-11H2,1-2H3,(H,18,20)

InChIKey

RBEUQTCXHILJSS-UHFFFAOYSA-N

Compound name

(1-propylpiperidin-3-yl) N-(2-chloro-6-methylphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 310.1448 Da
Monoisotopic Mass: 4.0
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]+	311.152076	173.8
[M+Na]+	333.134018	179.2
[M-H]-	309.137524	178.2
[M+NH4]+	328.178623	187.9
[M+K]+	349.107958	174.5
[M+H-H2O]+	293.142060	165.9
[M+HCOO]-	355.143001	188.0
[M+CH3COO]-	369.158651	206.5
[M+Na-2H]-	331.119466	174.4
[M]+	310.14425142	173.8
[M]-	310.14534858	173.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe