CID 3033464

Brn 1649996

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]+ 307.183846 173.2
[M+Na]+ 329.165788 175.7
[M-H]- 305.169294 176.7
[M+NH4]+ 324.210393 186.5
[M+K]+ 345.139728 171.0
[M+H-H2O]+ 289.173830 164.3
[M+HCOO]- 351.174771 186.3
[M+CH3COO]- 365.190421 205.7
[M+Na-2H]- 327.151236 172.7
[M]+ 306.17602142 171.5
[M]- 306.17711858 171.5
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.