CID 9860832

N-cyclohexyl-s,s-dioxobenzo(b)tiophene-2-carboxamide

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 164.2
[M+Na]+ 314.08215 171.3
[M-H]- 290.08565 171.5
[M+NH4]+ 309.12675 184.5
[M+K]+ 330.05609 167.1
[M+H-H2O]+ 274.09019 158.3
[M+HCOO]- 336.09113 180.7
[M+CH3COO]- 350.10678 198.1
[M+Na-2H]- 312.06760 166.5
[M]+ 291.09238 163.6
[M]- 291.09348 163.6
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