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]+ 233.074306 148.7
[M+Na]+ 255.056248 157.6
[M-H]- 231.059754 154.2
[M+NH4]+ 250.100853 165.5
[M+K]+ 271.030188 152.9
[M+H-H2O]+ 215.064290 141.0
[M+HCOO]- 277.065231 168.0
[M+CH3COO]- 291.080881 190.9
[M+Na-2H]- 253.041696 152.9
[M]+ 232.06648142 150.3
[M]- 232.06757858 150.3
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