CID 486597

Schembl8043401

Structural Information

Molecular Formula
C25H33N3O4S
SMILES
CN(CC(CCN1CCC(CC1)N2CCOC2=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H33N3O4S/c1-26(33(30,31)24-10-6-3-7-11-24)20-22(21-8-4-2-5-9-21)12-15-27-16-13-23(14-17-27)28-18-19-32-25(28)29/h2-11,22-23H,12-20H2,1H3
InChIKey
RBKFPXBLPYZBDH-UHFFFAOYSA-N
Compound name
N-methyl-N-[4-[4-(2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-phenylbutyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

471.21918 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.22646 211.9
[M+Na]+ 494.20840 212.9
[M-H]- 470.21190 221.9
[M+NH4]+ 489.25300 217.0
[M+K]+ 510.18234 210.0
[M+H-H2O]+ 454.21644 201.3
[M+HCOO]- 516.21738 221.0
[M+CH3COO]- 530.23303 235.1
[M+Na-2H]- 492.19385 209.1
[M]+ 471.21863 210.9
[M]- 471.21973 210.9
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

No patent data available for this compound.