CID 3000929

178870-54-7

Structural Information

Molecular Formula
C18H20ClNO2S
SMILES
CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)OC3CCCCC3
InChI
InChI=1S/C18H20ClNO2S/c1-12-15(9-10-21-12)18(23)20-13-7-8-16(19)17(11-13)22-14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,20,23)
InChIKey
JATQUVBEVNAAQN-UHFFFAOYSA-N
Compound name
N-(4-chloro-3-cyclohexyloxyphenyl)-2-methylfuran-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.09033 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09761 182.7
[M+Na]+ 372.07955 188.9
[M-H]- 348.08305 192.8
[M+NH4]+ 367.12415 197.4
[M+K]+ 388.05349 183.9
[M+H-H2O]+ 332.08759 176.1
[M+HCOO]- 394.08853 193.9
[M+CH3COO]- 408.10418 193.0
[M+Na-2H]- 370.06500 180.4
[M]+ 349.08978 184.3
[M]- 349.09088 184.3
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.