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 181.6
[M+Na]+ 357.19712 183.2
[M-H]- 333.20062 184.7
[M+NH4]+ 352.24172 193.8
[M+K]+ 373.17106 178.0
[M+H-H2O]+ 317.20516 172.4
[M+HCOO]- 379.20610 194.0
[M+CH3COO]- 393.22175 211.6
[M+Na-2H]- 355.18257 180.1
[M]+ 334.20735 180.6
[M]- 334.20845 180.6
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.