CID 459686

6-methylsulfonylquinolin-8-amine

Structural Information

Molecular Formula
C10H10N2O2S
SMILES
CS(=O)(=O)C1=CC(=C2C(=C1)C=CC=N2)N
InChI
InChI=1S/C10H10N2O2S/c1-15(13,14)8-5-7-3-2-4-12-10(7)9(11)6-8/h2-6H,11H2,1H3
InChIKey
ZUQXKGSERNLVCR-UHFFFAOYSA-N
Compound name
6-methylsulfonylquinolin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.0463 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05358 144.7
[M+Na]+ 245.03552 155.1
[M-H]- 221.03902 148.2
[M+NH4]+ 240.08012 163.1
[M+K]+ 261.00946 150.9
[M+H-H2O]+ 205.04356 138.6
[M+HCOO]- 267.04450 161.9
[M+CH3COO]- 281.06015 187.6
[M+Na-2H]- 243.02097 151.5
[M]+ 222.04575 146.6
[M]- 222.04685 146.6
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.