CID 23604942

891016-02-7

Structural Information

Molecular Formula
C23H31N3O3S
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3CCCCC3NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H31N3O3S/c1-29-23-14-8-7-13-22(23)26-17-15-25(16-18-26)21-12-6-5-11-20(21)24-30(27,28)19-9-3-2-4-10-19/h2-4,7-10,13-14,20-21,24H,5-6,11-12,15-18H2,1H3
InChIKey
OVTXOMMQHRIKGL-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

29
Patents

429.20862 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.21590 199.7
[M+Na]+ 452.19784 211.2
[M+NH4]+ 447.24244 206.4
[M+K]+ 468.17178 202.1
[M-H]- 428.20134 206.2
[M+Na-2H]- 450.18329 208.5
[M]+ 429.20807 203.5
[M]- 429.20917 203.5
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