CID 110045

N-cyclohexylthioformanilide

Structural Information

Molecular Formula
C13H17NOS
SMILES
C1CCC(CC1)SN(C=O)C2=CC=CC=C2
InChI
InChI=1S/C13H17NOS/c15-11-14(12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2
InChIKey
VDCATNYIULHPDO-UHFFFAOYSA-N
Compound name
N-cyclohexylsulfanyl-N-phenylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.10309 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11037 151.9
[M+Na]+ 258.09231 163.2
[M+NH4]+ 253.13691 161.7
[M+K]+ 274.06625 153.7
[M-H]- 234.09581 157.4
[M+Na-2H]- 256.07776 160.0
[M]+ 235.10254 155.5
[M]- 235.10364 155.5
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.