CID 479875

Methyl{2-[2-(4-phenylpiperidyl)ethyl]pentyl}(phenylsulfonyl)amine

Structural Information

Molecular Formula
C25H36N2O2S
SMILES
CCCC(CCN1CCC(CC1)C2=CC=CC=C2)CN(C)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C25H36N2O2S/c1-3-10-22(21-26(2)30(28,29)25-13-8-5-9-14-25)15-18-27-19-16-24(17-20-27)23-11-6-4-7-12-23/h4-9,11-14,22,24H,3,10,15-21H2,1-2H3
InChIKey
ZIIPCAQEKGLQMU-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-[2-(4-phenylpiperidin-1-yl)ethyl]pentyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.24976 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.25704 205.1
[M+Na]+ 451.23898 205.8
[M-H]- 427.24248 212.1
[M+NH4]+ 446.28358 213.2
[M+K]+ 467.21292 200.7
[M+H-H2O]+ 411.24702 194.2
[M+HCOO]- 473.24796 216.1
[M+CH3COO]- 487.26361 230.9
[M+Na-2H]- 449.22443 203.8
[M]+ 428.24921 204.9
[M]- 428.25031 204.9
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.