CID 3049447

Brn 1657082

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₃S

SMILES

CC(C)OC1=CC=CC=C1OC(=O)N(C)SN2CCCCC2

InChI

InChI=1S/C16H24N2O3S/c1-13(2)20-14-9-5-6-10-15(14)21-16(19)17(3)22-18-11-7-4-8-12-18/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3

InChIKey

NONLCZQWNYRZMA-UHFFFAOYSA-N

Compound name

(2-propan-2-yloxyphenyl) N-methyl-N-piperidin-1-ylsulfanylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 324.15076 Da
Monoisotopic Mass: 3.6
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]+	325.158036	176.0
[M+Na]+	347.139978	178.5
[M-H]-	323.143484	181.3
[M+NH4]+	342.184583	189.0
[M+K]+	363.113918	177.2
[M+H-H2O]+	307.148020	167.0
[M+HCOO]-	369.148961	189.3
[M+CH3COO]-	383.164611	210.4
[M+Na-2H]-	345.125426	174.6
[M]+	324.15021142	177.5
[M]-	324.15130858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe