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 173.2
[M+Na]+ 329.16579 175.7
[M-H]- 305.16929 176.7
[M+NH4]+ 324.21039 186.5
[M+K]+ 345.13973 171.0
[M+H-H2O]+ 289.17383 164.3
[M+HCOO]- 351.17477 186.3
[M+CH3COO]- 365.19042 205.7
[M+Na-2H]- 327.15124 172.7
[M]+ 306.17602 171.5
[M]- 306.17712 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.