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 148.7
[M+Na]+ 255.05625 157.6
[M-H]- 231.05975 154.2
[M+NH4]+ 250.10085 165.5
[M+K]+ 271.03019 152.9
[M+H-H2O]+ 215.06429 141.0
[M+HCOO]- 277.06523 168.0
[M+CH3COO]- 291.08088 190.9
[M+Na-2H]- 253.04170 152.9
[M]+ 232.06648 150.3
[M]- 232.06758 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