CID 4338178

N-[3-(benzyloxy)pyridin-2-yl]benzenesulfonamide

Structural Information

Molecular Formula
C18H16N2O3S
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H16N2O3S/c21-24(22,16-10-5-2-6-11-16)20-18-17(12-7-13-19-18)23-14-15-8-3-1-4-9-15/h1-13H,14H2,(H,19,20)
InChIKey
JBHHMMLJGNLVNB-UHFFFAOYSA-N
Compound name
N-(3-phenylmethoxypyridin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

340.08817 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09545 176.2
[M+Na]+ 363.07739 190.9
[M+NH4]+ 358.12199 183.8
[M+K]+ 379.05133 181.2
[M-H]- 339.08089 182.1
[M+Na-2H]- 361.06284 187.9
[M]+ 340.08762 180.6
[M]- 340.08872 180.6
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