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

0
Patents

324.15076 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15804 174.1
[M+Na]+ 347.13998 183.2
[M+NH4]+ 342.18458 181.1
[M+K]+ 363.11392 176.2
[M-H]- 323.14348 177.2
[M+Na-2H]- 345.12543 179.4
[M]+ 324.15021 176.5
[M]- 324.15131 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.