CID 3033460

69353-27-1

Structural Information

Molecular Formula
C18H28N2OS
SMILES
CC(C)COC1=CC=C(C=C1)C(=S)NCCN2CCCCC2
InChI
InChI=1S/C18H28N2OS/c1-15(2)14-21-17-8-6-16(7-9-17)18(22)19-10-13-20-11-4-3-5-12-20/h6-9,15H,3-5,10-14H2,1-2H3,(H,19,22)
InChIKey
IMWDOFPCUYJVPE-UHFFFAOYSA-N
Compound name
4-(2-methylpropoxy)-N-(2-piperidin-1-ylethyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.19223 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19951 177.3
[M+Na]+ 343.18145 186.8
[M+NH4]+ 338.22605 185.0
[M+K]+ 359.15539 177.7
[M-H]- 319.18495 181.1
[M+Na-2H]- 341.16690 182.6
[M]+ 320.19168 180.0
[M]- 320.19278 180.0
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.