CID 3038193

P-isopropoxy-n-(3-pyrrolidinylpropyl)thiobenzamide

Structural Information

Molecular Formula
C17H26N2OS
SMILES
CC(C)OC1=CC=C(C=C1)C(=S)NCCCN2CCCC2
InChI
InChI=1S/C17H26N2OS/c1-14(2)20-16-8-6-15(7-9-16)17(21)18-10-5-13-19-11-3-4-12-19/h6-9,14H,3-5,10-13H2,1-2H3,(H,18,21)
InChIKey
ABGWFDVVVKKOMO-UHFFFAOYSA-N
Compound name
4-propan-2-yloxy-N-(3-pyrrolidin-1-ylpropyl)benzenecarbothioamide
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 174.8
[M+Na]+ 329.16579 183.3
[M+NH4]+ 324.21039 182.4
[M+K]+ 345.13973 176.5
[M-H]- 305.16929 177.8
[M+Na-2H]- 327.15124 179.1
[M]+ 306.17602 177.0
[M]- 306.17712 177.0
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.