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

48
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

literature stripe

Patent stripe

patents stripe