CID 2115228

750607-84-2

Structural Information

Molecular Formula
C18H22N2O2S
SMILES
C1CN(CCC1CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C18H22N2O2S/c19-17-6-8-18(9-7-17)23(21,22)20-12-10-16(11-13-20)14-15-4-2-1-3-5-15/h1-9,16H,10-14,19H2
InChIKey
GSWWKMKEEYPCBQ-UHFFFAOYSA-N
Compound name
4-(4-benzylpiperidin-1-yl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

330.1402 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.14748 176.6
[M+Na]+ 353.12942 181.8
[M-H]- 329.13292 183.5
[M+NH4]+ 348.17402 188.4
[M+K]+ 369.10336 175.8
[M+H-H2O]+ 313.13746 167.5
[M+HCOO]- 375.13840 190.0
[M+CH3COO]- 389.15405 207.0
[M+Na-2H]- 351.11487 178.6
[M]+ 330.13965 173.0
[M]- 330.14075 173.0
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.