CID 3038189

P-isopropoxy-n-(2-piperidinoethyl)thiobenzamide

Structural Information

Molecular Formula
C17H26N2OS
SMILES
CC(C)OC1=CC=C(C=C1)C(=S)NCCN2CCCCC2
InChI
InChI=1S/C17H26N2OS/c1-14(2)20-16-8-6-15(7-9-16)17(21)18-10-13-19-11-4-3-5-12-19/h6-9,14H,3-5,10-13H2,1-2H3,(H,18,21)
InChIKey
JXBGYKRYCIVMAP-UHFFFAOYSA-N
Compound name
N-(2-piperidin-1-ylethyl)-4-propan-2-yloxybenzenecarbothioamide
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 173.6
[M+Na]+ 329.16579 175.8
[M-H]- 305.16929 177.1
[M+NH4]+ 324.21039 186.8
[M+K]+ 345.13973 171.6
[M+H-H2O]+ 289.17383 164.9
[M+HCOO]- 351.17477 185.6
[M+CH3COO]- 365.19042 206.5
[M+Na-2H]- 327.15124 172.0
[M]+ 306.17602 171.3
[M]- 306.17712 171.3
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.