CID 3033464

69353-31-7

Structural Information

Molecular Formula
C17H26N2OS
SMILES
CCCOC1=CC=C(C=C1)C(=S)NCCN2CCCCC2
InChI
InChI=1S/C17H26N2OS/c1-2-14-20-16-8-6-15(7-9-16)17(21)18-10-13-19-11-4-3-5-12-19/h6-9H,2-5,10-14H2,1H3,(H,18,21)
InChIKey
ZMENZHVMHHTQHY-UHFFFAOYSA-N
Compound name
N-(2-piperidin-1-ylethyl)-4-propoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.17657 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18385 173.3
[M+Na]+ 329.16579 183.4
[M+NH4]+ 324.21039 181.3
[M+K]+ 345.13973 173.7
[M-H]- 305.16929 177.3
[M+Na-2H]- 327.15124 179.1
[M]+ 306.17602 176.2
[M]- 306.17712 176.2
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.