CID 3033449

Benzamide, n-cyclohexyl-o-methoxy-thio-

Structural Information

Molecular Formula
C14H19NOS
SMILES
COC1=CC=CC=C1C(=S)NC2CCCCC2
InChI
InChI=1S/C14H19NOS/c1-16-13-10-6-5-9-12(13)14(17)15-11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,15,17)
InChIKey
TVQPAPHYKTWRAD-UHFFFAOYSA-N
Compound name
N-cyclohexyl-2-methoxybenzenecarbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11873 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12601 156.5
[M+Na]+ 272.10795 160.3
[M-H]- 248.11145 162.1
[M+NH4]+ 267.15255 173.5
[M+K]+ 288.08189 156.5
[M+H-H2O]+ 232.11599 149.2
[M+HCOO]- 294.11693 171.8
[M+CH3COO]- 308.13258 194.1
[M+Na-2H]- 270.09340 157.3
[M]+ 249.11818 153.3
[M]- 249.11928 153.3
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.