CID 478467

N-[(2s)-2-(3-chlorophenyl)-4-(4-phenylphenyl)butyl]-n-methyl-benzenesulfonamide

Structural Information

Molecular Formula
C29H28ClNO2S
SMILES
CN(C[C@@H](CCC1=CC=C(C=C1)C2=CC=CC=C2)C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H28ClNO2S/c1-31(34(32,33)29-13-6-3-7-14-29)22-27(26-11-8-12-28(30)21-26)20-17-23-15-18-25(19-16-23)24-9-4-2-5-10-24/h2-16,18-19,21,27H,17,20,22H2,1H3/t27-/m1/s1
InChIKey
UJMNZXVPCSLBAO-HHHXNRCGSA-N
Compound name
N-[(2S)-2-(3-chlorophenyl)-4-(4-phenylphenyl)butyl]-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.15292 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.16020 218.7
[M+Na]+ 512.14214 223.6
[M-H]- 488.14564 231.3
[M+NH4]+ 507.18674 226.4
[M+K]+ 528.11608 215.9
[M+H-H2O]+ 472.15018 207.8
[M+HCOO]- 534.15112 230.6
[M+CH3COO]- 548.16677 239.3
[M+Na-2H]- 510.12759 219.3
[M]+ 489.15237 223.7
[M]- 489.15347 223.7
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.