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 152.0
[M+Na]+ 258.09231 155.8
[M-H]- 234.09581 158.9
[M+NH4]+ 253.13691 170.0
[M+K]+ 274.06625 153.1
[M+H-H2O]+ 218.10035 144.4
[M+HCOO]- 280.10129 169.2
[M+CH3COO]- 294.11694 193.3
[M+Na-2H]- 256.07776 154.5
[M]+ 235.10254 150.0
[M]- 235.10364 150.0
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.