CID 818647

Mls000575428

Structural Information

Molecular Formula
C19H17NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C3=CC=CC=C3
InChI
InChI=1S/C19H17NO2S/c1-15-11-13-17(14-12-15)23(21,22)20-19-10-6-5-9-18(19)16-7-3-2-4-8-16/h2-14,20H,1H3
InChIKey
VPIDANAIZIMNGX-UHFFFAOYSA-N
Compound name
4-methyl-N-(2-phenylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

18
Patents

323.098 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.10528 174.0
[M+Na]+ 346.08722 189.6
[M+NH4]+ 341.13182 182.9
[M+K]+ 362.06116 179.0
[M-H]- 322.09072 181.2
[M+Na-2H]- 344.07267 186.1
[M]+ 323.09745 179.1
[M]- 323.09855 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe