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 161.0
[M+Na]+ 301.06172 169.8
[M-H]- 277.06522 166.4
[M+NH4]+ 296.10632 175.6
[M+K]+ 317.03566 165.3
[M+H-H2O]+ 261.06976 153.1
[M+HCOO]- 323.07070 179.0
[M+CH3COO]- 337.08635 197.0
[M+Na-2H]- 299.04717 165.5
[M]+ 278.07195 163.7
[M]- 278.07305 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.