CID 4219953

N-cyclohexyl-2-phenylthioacetamide

Structural Information

Molecular Formula
C14H19NS
SMILES
C1CCC(CC1)NC(=S)CC2=CC=CC=C2
InChI
InChI=1S/C14H19NS/c16-14(11-12-7-3-1-4-8-12)15-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,15,16)
InChIKey
ZAUYJLKLIONKDG-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-phenylethanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.12383 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13111 152.9
[M+Na]+ 256.11305 156.0
[M-H]- 232.11655 158.2
[M+NH4]+ 251.15765 170.4
[M+K]+ 272.08699 151.7
[M+H-H2O]+ 216.12109 145.6
[M+HCOO]- 278.12203 168.1
[M+CH3COO]- 292.13768 191.0
[M+Na-2H]- 254.09850 154.4
[M]+ 233.12328 147.9
[M]- 233.12438 147.9
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.