CID 3038207

Brn 1256813

Structural Information

Molecular Formula
C20H32N2OS
SMILES
CC(C)CCOC1=CC=C(C=C1)C(=S)NCCCN2CCCCC2
InChI
InChI=1S/C20H32N2OS/c1-17(2)11-16-23-19-9-7-18(8-10-19)20(24)21-12-6-15-22-13-4-3-5-14-22/h7-10,17H,3-6,11-16H2,1-2H3,(H,21,24)
InChIKey
AXTYLHIUBMSBEV-UHFFFAOYSA-N
Compound name
4-(3-methylbutoxy)-N-(3-piperidin-1-ylpropyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.22354 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.23082 186.3
[M+Na]+ 371.21276 187.1
[M-H]- 347.21626 189.2
[M+NH4]+ 366.25736 197.8
[M+K]+ 387.18670 182.3
[M+H-H2O]+ 331.22080 177.0
[M+HCOO]- 393.22174 197.3
[M+CH3COO]- 407.23739 215.4
[M+Na-2H]- 369.19821 183.3
[M]+ 348.22299 185.0
[M]- 348.22409 185.0
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.