CID 111891

68957-37-9

Structural Information

Molecular Formula
C20H20N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)N
InChI
InChI=1S/C20H20N2O2S/c1-16-7-13-20(14-8-16)25(23,24)22(15-17-5-3-2-4-6-17)19-11-9-18(21)10-12-19/h2-14H,15,21H2,1H3
InChIKey
KICSZWPFAXOJMY-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)-N-benzyl-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.12454 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.13182 181.6
[M+Na]+ 375.11376 195.5
[M+NH4]+ 370.15836 189.8
[M+K]+ 391.08770 185.9
[M-H]- 351.11726 189.1
[M+Na-2H]- 373.09921 193.0
[M]+ 352.12399 186.3
[M]- 352.12509 186.3
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.