CID 35909

Hs 37

Structural Information

Molecular Formula

C₁₇H₂₅ClN₂O₂

SMILES

CCCCN1CCCC(C1)OC(=O)NC2=C(C=CC=C2Cl)C

InChI

InChI=1S/C17H25ClN2O2/c1-3-4-10-20-11-6-8-14(12-20)22-17(21)19-16-13(2)7-5-9-15(16)18/h5,7,9,14H,3-4,6,8,10-12H2,1-2H3,(H,19,21)

InChIKey

SUGBVZMJIRBHEZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 324.16046 Da
Monoisotopic Mass: 4.3
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]+	325.167736	178.3
[M+Na]+	347.149678	183.3
[M-H]-	323.153184	182.5
[M+NH4]+	342.194283	191.8
[M+K]+	363.123618	178.4
[M+H-H2O]+	307.157720	170.2
[M+HCOO]-	369.158661	192.1
[M+CH3COO]-	383.174311	209.5
[M+Na-2H]-	345.135126	178.4
[M]+	324.15991142	178.7
[M]-	324.16100858	178.7

Literature stripe

literature stripe

Patent stripe

patents stripe