CID 9860832

149118-66-1

Structural Information

Molecular Formula
C15H17NO3S
SMILES
C1CCC(CC1)NC(=O)C2=CC3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C15H17NO3S/c17-15(16-12-7-2-1-3-8-12)14-10-11-6-4-5-9-13(11)20(14,18)19/h4-6,9-10,12H,1-3,7-8H2,(H,16,17)
InChIKey
VOZSTWKINVCUQY-UHFFFAOYSA-N
Compound name
N-cyclohexyl-1,1-dioxo-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
Patents

291.09293 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10021 164.0
[M+Na]+ 314.08215 174.1
[M+NH4]+ 309.12675 173.8
[M+K]+ 330.05609 165.7
[M-H]- 290.08565 167.5
[M+Na-2H]- 312.06760 170.7
[M]+ 291.09238 166.8
[M]- 291.09348 166.8
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

patents stripe