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-phenylmethoxy-2-pyridinyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

7
Patents

340.08817 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.095446 177.2
[M+Na]+ 363.077388 184.3
[M-H]- 339.080894 185.4
[M+NH4]+ 358.121993 188.6
[M+K]+ 379.051328 178.6
[M+H-H2O]+ 323.085430 167.5
[M+HCOO]- 385.086371 195.6
[M+CH3COO]- 399.102021 207.5
[M+Na-2H]- 361.062836 183.7
[M]+ 340.08762142 179.4
[M]- 340.08871858 179.4
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