CID 3038194

32412-28-5

Structural Information

Molecular Formula
C19H30N2OS
SMILES
CCCCOC1=CC=C(C=C1)C(=S)NCCCN2CCCCC2
InChI
InChI=1S/C19H30N2OS/c1-2-3-16-22-18-10-8-17(9-11-18)19(23)20-12-7-15-21-13-5-4-6-14-21/h8-11H,2-7,12-16H2,1H3,(H,20,23)
InChIKey
AHFDNTQJKVZQDK-UHFFFAOYSA-N
Compound name
4-butoxy-N-(3-piperidin-1-ylpropyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2079 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.21518 181.9
[M+Na]+ 357.19712 191.5
[M+NH4]+ 352.24172 189.5
[M+K]+ 373.17106 181.4
[M-H]- 333.20062 185.8
[M+Na-2H]- 355.18257 187.2
[M]+ 334.20735 184.7
[M]- 334.20845 184.7
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.