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 176.0
[M+Na]+ 347.13998 178.5
[M-H]- 323.14348 181.3
[M+NH4]+ 342.18458 189.0
[M+K]+ 363.11392 177.2
[M+H-H2O]+ 307.14802 167.0
[M+HCOO]- 369.14896 189.3
[M+CH3COO]- 383.16461 210.4
[M+Na-2H]- 345.12543 174.6
[M]+ 324.15021 177.5
[M]- 324.15131 177.5
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

patents stripe