CID 2190284

N-phenethylpiperidine-1-carbothioamide

Structural Information

Molecular Formula
C14H20N2S
SMILES
C1CCN(CC1)C(=S)NCCC2=CC=CC=C2
InChI
InChI=1S/C14H20N2S/c17-14(16-11-5-2-6-12-16)15-10-9-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,17)
InChIKey
MGICFDHZUDIPGA-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

248.13472 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14200 157.0
[M+Na]+ 271.12394 160.3
[M-H]- 247.12744 160.8
[M+NH4]+ 266.16854 172.6
[M+K]+ 287.09788 155.7
[M+H-H2O]+ 231.13198 148.8
[M+HCOO]- 293.13292 170.9
[M+CH3COO]- 307.14857 192.9
[M+Na-2H]- 269.10939 158.6
[M]+ 248.13417 152.4
[M]- 248.13527 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.