CID 819361

2-(phenylsulfanyl)pyridin-3-amine

Structural Information

Molecular Formula
C11H10N2S
SMILES
C1=CC=C(C=C1)SC2=C(C=CC=N2)N
InChI
InChI=1S/C11H10N2S/c12-10-7-4-8-13-11(10)14-9-5-2-1-3-6-9/h1-8H,12H2
InChIKey
BGHRGXJUSHPCRV-UHFFFAOYSA-N
Compound name
2-phenylsulfanylpyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

8
Patents

202.05647 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.063746 140.4
[M+Na]+ 225.045688 149.1
[M-H]- 201.049194 145.7
[M+NH4]+ 220.090293 158.2
[M+K]+ 241.019628 144.1
[M+H-H2O]+ 185.053730 133.0
[M+HCOO]- 247.054671 159.8
[M+CH3COO]- 261.070321 153.3
[M+Na-2H]- 223.031136 145.8
[M]+ 202.05592142 139.8
[M]- 202.05701858 139.8
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