CID 4118076

N-benzyl-n-nitroso-p-toluenesulfonamide

Structural Information

Molecular Formula
C14H14N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)N=O
InChI
InChI=1S/C14H14N2O3S/c1-12-7-9-14(10-8-12)20(18,19)16(15-17)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKey
ZXELPGWSCCGNDS-UHFFFAOYSA-N
Compound name
N-benzyl-4-methyl-N-nitrosobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

290.0725 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07978 163.6
[M+Na]+ 313.06172 171.0
[M-H]- 289.06522 173.2
[M+NH4]+ 308.10632 179.8
[M+K]+ 329.03566 168.4
[M+H-H2O]+ 273.06976 155.1
[M+HCOO]- 335.07070 186.3
[M+CH3COO]- 349.08635 206.8
[M+Na-2H]- 311.04717 169.6
[M]+ 290.07195 168.4
[M]- 290.07305 168.4
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.