CID 28412347

5-[(3-methoxyphenyl)sulfanyl]pyridin-2-amine

Structural Information

Molecular Formula
C12H12N2OS
SMILES
COC1=CC(=CC=C1)SC2=CN=C(C=C2)N
InChI
InChI=1S/C12H12N2OS/c1-15-9-3-2-4-10(7-9)16-11-5-6-12(13)14-8-11/h2-8H,1H3,(H2,13,14)
InChIKey
RAAQKPHNTPUHRS-UHFFFAOYSA-N
Compound name
5-(3-methoxyphenyl)sulfanylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

232.06703 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07431 149.0
[M+Na]+ 255.05625 163.3
[M+NH4]+ 250.10085 158.2
[M+K]+ 271.03019 153.8
[M-H]- 231.05975 154.2
[M+Na-2H]- 253.04170 158.4
[M]+ 232.06648 153.1
[M]- 232.06758 153.1
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

patents stripe