CID 479880

Methyl[2-naphthyl-4-(4-phenylpiperidyl)butyl](phenylsulfonyl)amine

Structural Information

Molecular Formula
C32H36N2O2S
SMILES
CN(CC(CCN1CCC(CC1)C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5
InChI
InChI=1S/C32H36N2O2S/c1-33(37(35,36)30-15-6-3-7-16-30)25-29(32-18-10-14-28-13-8-9-17-31(28)32)21-24-34-22-19-27(20-23-34)26-11-4-2-5-12-26/h2-18,27,29H,19-25H2,1H3
InChIKey
YIURBHHJORVXSM-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-naphthalen-1-yl-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

512.24976 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.25704 223.8
[M+Na]+ 535.23898 224.5
[M-H]- 511.24248 233.8
[M+NH4]+ 530.28358 228.4
[M+K]+ 551.21292 217.7
[M+H-H2O]+ 495.24702 210.9
[M+HCOO]- 557.24796 233.1
[M+CH3COO]- 571.26361 228.6
[M+Na-2H]- 533.22443 224.3
[M]+ 512.24921 221.8
[M]- 512.25031 221.8
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.