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)-3-pyridinyl]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]+ 279.079776 161.0
[M+Na]+ 301.061718 169.8
[M-H]- 277.065224 166.4
[M+NH4]+ 296.106323 175.6
[M+K]+ 317.035658 165.3
[M+H-H2O]+ 261.069760 153.1
[M+HCOO]- 323.070701 179.0
[M+CH3COO]- 337.086351 197.0
[M+Na-2H]- 299.047166 165.5
[M]+ 278.07195142 163.7
[M]- 278.07304858 163.7
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.