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 187.7
[M+Na]+ 405.08794 192.2
[M-H]- 381.09144 198.3
[M+NH4]+ 400.13254 198.1
[M+K]+ 421.06188 183.7
[M+H-H2O]+ 365.09598 182.1
[M+HCOO]- 427.09692 207.5
[M+CH3COO]- 441.11257 214.3
[M+Na-2H]- 403.07339 193.6
[M]+ 382.09817 188.4
[M]- 382.09927 188.4
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.