CID 479883

Chembl88197

Structural Information

Molecular Formula
C29H36N2O2S
SMILES
CC1=CC(=CC=C1)C(CCN2CCC(CC2)C3=CC=CC=C3)CN(C)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H36N2O2S/c1-24-10-9-13-27(22-24)28(23-30(2)34(32,33)29-14-7-4-8-15-29)18-21-31-19-16-26(17-20-31)25-11-5-3-6-12-25/h3-15,22,26,28H,16-21,23H2,1-2H3
InChIKey
SYVROGQLFFWKJO-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-(3-methylphenyl)-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

476.24976 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.25704 216.4
[M+Na]+ 499.23898 217.4
[M-H]- 475.24248 226.4
[M+NH4]+ 494.28358 222.0
[M+K]+ 515.21292 211.3
[M+H-H2O]+ 459.24702 204.3
[M+HCOO]- 521.24796 227.3
[M+CH3COO]- 535.26361 239.7
[M+Na-2H]- 497.22443 215.1
[M]+ 476.24921 215.1
[M]- 476.25031 215.1
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.