CID 86566705

[1,1'-biphenyl]-4-sulfonamide, 4'-chloro-2'-cyano-n-(trans-4-hydroxy-4-methylcyclohexyl)-

Structural Information

Molecular Formula
C20H21ClN2O3S
SMILES
CC1(CCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)Cl)C#N)O
InChI
InChI=1S/C20H21ClN2O3S/c1-20(24)10-8-17(9-11-20)23-27(25,26)18-5-2-14(3-6-18)19-7-4-16(21)12-15(19)13-22/h2-7,12,17,23-24H,8-11H2,1H3
InChIKey
PHOYDFRXZMNHIF-UHFFFAOYSA-N
Compound name
4-(4-chloro-2-cyanophenyl)-N-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

404.09613 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.103406 203.5
[M+Na]+ 427.085348 213.6
[M-H]- 403.088854 210.5
[M+NH4]+ 422.129953 215.4
[M+K]+ 443.059288 204.6
[M+H-H2O]+ 387.093390 190.9
[M+HCOO]- 449.094331 209.9
[M+CH3COO]- 463.109981 225.8
[M+Na-2H]- 425.070796 204.1
[M]+ 404.09558142 199.0
[M]- 404.09667858 199.0
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

patents stripe