CID 89151

22019-64-3

Structural Information

Molecular Formula
C20H18N2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H18N2O4S/c1-16-7-13-20(14-8-16)27(25,26)21(15-17-5-3-2-4-6-17)18-9-11-19(12-10-18)22(23)24/h2-14H,15H2,1H3
InChIKey
VWPDFYRRQUHOKR-UHFFFAOYSA-N
Compound name
N-benzyl-4-methyl-N-(4-nitrophenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.09872 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10600 182.6
[M+Na]+ 405.08794 197.3
[M+NH4]+ 400.13254 190.2
[M+K]+ 421.06188 190.9
[M-H]- 381.09144 190.4
[M+Na-2H]- 403.07339 193.8
[M]+ 382.09817 187.4
[M]- 382.09927 187.4
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.