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

literature stripe

Patent stripe

patents stripe