CID 3055072

Benzamide, p-butoxy-n-(2-piperidinoethyl)thio-

Structural Information

Molecular Formula
C18H28N2OS
SMILES
CCCCOC1=CC=C(C=C1)C(=S)NCCN2CCCCC2
InChI
InChI=1S/C18H28N2OS/c1-2-3-15-21-17-9-7-16(8-10-17)18(22)19-11-14-20-12-5-4-6-13-20/h7-10H,2-6,11-15H2,1H3,(H,19,22)
InChIKey
YZSNKHPMRPIHNQ-UHFFFAOYSA-N
Compound name
4-butoxy-N-(2-piperidin-1-ylethyl)benzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.19223 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19951 177.4
[M+Na]+ 343.18145 179.5
[M-H]- 319.18495 180.7
[M+NH4]+ 338.22605 190.2
[M+K]+ 359.15539 174.5
[M+H-H2O]+ 303.18949 168.4
[M+HCOO]- 365.19043 190.2
[M+CH3COO]- 379.20608 208.7
[M+Na-2H]- 341.16690 176.4
[M]+ 320.19168 176.1
[M]- 320.19278 176.1
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.