CID 43806815

[2-(3-methanesulfonylphenoxy)pyridin-3-yl]methanamine

Structural Information

Molecular Formula
C13H14N2O3S
SMILES
CS(=O)(=O)C1=CC=CC(=C1)OC2=C(C=CC=N2)CN
InChI
InChI=1S/C13H14N2O3S/c1-19(16,17)12-6-2-5-11(8-12)18-13-10(9-14)4-3-7-15-13/h2-8H,9,14H2,1H3
InChIKey
SZLPAGGXVKZWNX-UHFFFAOYSA-N
Compound name
[2-(3-methylsulfonylphenoxy)pyridin-3-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.0725 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.07978 160.9
[M+Na]+ 301.06172 173.6
[M+NH4]+ 296.10632 168.0
[M+K]+ 317.03566 166.0
[M-H]- 277.06522 163.9
[M+Na-2H]- 299.04717 168.8
[M]+ 278.07195 164.0
[M]- 278.07305 164.0
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.