CID 2813897

Maybridge3_002696

Structural Information

Molecular Formula
C16H20N2O2S2
SMILES
CN(C1CCCCC1)S(=O)(=O)C2=CC=C(S2)C3=CC=CC=N3
InChI
InChI=1S/C16H20N2O2S2/c1-18(13-7-3-2-4-8-13)22(19,20)16-11-10-15(21-16)14-9-5-6-12-17-14/h5-6,9-13H,2-4,7-8H2,1H3
InChIKey
ZOXPTDZGTVHLDO-UHFFFAOYSA-N
Compound name
N-cyclohexyl-N-methyl-5-pyridin-2-ylthiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

336.09662 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.103896 176.9
[M+Na]+ 359.085838 182.8
[M-H]- 335.089344 185.7
[M+NH4]+ 354.130443 191.6
[M+K]+ 375.059778 178.2
[M+H-H2O]+ 319.093880 169.3
[M+HCOO]- 381.094821 187.8
[M+CH3COO]- 395.110471 207.7
[M+Na-2H]- 357.071286 176.8
[M]+ 336.09607142 176.7
[M]- 336.09716858 176.7
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.