CID 5482457

Chembl83882

Structural Information

Molecular Formula
C30H37ClN2O2S
SMILES
CN(C[C@@H](CCN1CCC(CC1)CCC2=CC=CC=C2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C30H37ClN2O2S/c1-32(36(34,35)30-13-6-3-7-14-30)24-28(27-11-8-12-29(31)23-27)19-22-33-20-17-26(18-21-33)16-15-25-9-4-2-5-10-25/h2-14,23,26,28H,15-22,24H2,1H3/t28-/m1/s1
InChIKey
GILLIBKHPUQVNU-MUUNZHRXSA-N
Compound name
N-[(2S)-2-(3-chlorophenyl)-4-[4-(2-phenylethyl)piperidin-1-yl]butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

524.22644 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 525.23372 226.5
[M+Na]+ 547.21566 227.7
[M-H]- 523.21916 236.2
[M+NH4]+ 542.26026 231.1
[M+K]+ 563.18960 220.2
[M+H-H2O]+ 507.22370 214.6
[M+HCOO]- 569.22464 232.6
[M+CH3COO]- 583.24029 245.7
[M+Na-2H]- 545.20111 224.3
[M]+ 524.22589 228.0
[M]- 524.22699 228.0
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.