CID 3049152

64511-70-2

Structural Information

Molecular Formula
C21H28N2O4S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)OCC(CN2CCC(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C21H28N2O4S/c1-28(25,26)22-19-7-9-21(10-8-19)27-16-20(24)15-23-13-11-18(12-14-23)17-5-3-2-4-6-17/h2-10,18,20,22,24H,11-16H2,1H3
InChIKey
IYPHYBPRBGPAPN-UHFFFAOYSA-N
Compound name
N-[4-[2-hydroxy-3-(4-phenylpiperidin-1-yl)propoxy]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.17697 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18425 193.9
[M+Na]+ 427.16619 196.2
[M-H]- 403.16969 199.2
[M+NH4]+ 422.21079 201.7
[M+K]+ 443.14013 191.1
[M+H-H2O]+ 387.17423 184.2
[M+HCOO]- 449.17517 204.7
[M+CH3COO]- 463.19082 219.3
[M+Na-2H]- 425.15164 194.8
[M]+ 404.17642 192.6
[M]- 404.17752 192.6
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

No patent data available for this compound.