CID 478468

N-[(2s)-2-(3-chlorophenyl)-4-(5-phenyl-2-pyridyl)butyl]-n-methyl-benzenesulfonamide

Structural Information

Molecular Formula
C28H27ClN2O2S
SMILES
CN(C[C@@H](CCC1=NC=C(C=C1)C2=CC=CC=C2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C28H27ClN2O2S/c1-31(34(32,33)28-13-6-3-7-14-28)21-25(23-11-8-12-26(29)19-23)16-18-27-17-15-24(20-30-27)22-9-4-2-5-10-22/h2-15,17,19-20,25H,16,18,21H2,1H3/t25-/m1/s1
InChIKey
PIWWOLNEVUGZRD-RUZDIDTESA-N
Compound name
N-[(2S)-2-(3-chlorophenyl)-4-(5-phenylpyridin-2-yl)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.14816 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.15544 217.5
[M+Na]+ 513.13738 222.7
[M-H]- 489.14088 228.9
[M+NH4]+ 508.18198 223.7
[M+K]+ 529.11132 214.9
[M+H-H2O]+ 473.14542 205.8
[M+HCOO]- 535.14636 228.3
[M+CH3COO]- 549.16201 224.8
[M+Na-2H]- 511.12283 218.8
[M]+ 490.14761 222.4
[M]- 490.14871 222.4
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.