CID 487309

8-(2,6-dichlorophenyl)sulfonylquinolin-5-amine

Structural Information

Molecular Formula
C15H10Cl2N2O2S
SMILES
C1=CC(=C(C(=C1)Cl)S(=O)(=O)C2=C3C(=C(C=C2)N)C=CC=N3)Cl
InChI
InChI=1S/C15H10Cl2N2O2S/c16-10-4-1-5-11(17)15(10)22(20,21)13-7-6-12(18)9-3-2-8-19-14(9)13/h1-8H,18H2
InChIKey
YVVQTGBYCXOQSE-UHFFFAOYSA-N
Compound name
8-(2,6-dichlorophenyl)sulfonylquinolin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.984 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.99128 173.9
[M+Na]+ 374.97322 186.0
[M-H]- 350.97672 180.2
[M+NH4]+ 370.01782 188.5
[M+K]+ 390.94716 178.2
[M+H-H2O]+ 334.98126 167.9
[M+HCOO]- 396.98220 181.3
[M+CH3COO]- 410.99785 185.2
[M+Na-2H]- 372.95867 178.5
[M]+ 351.98345 179.2
[M]- 351.98455 179.2
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

No patent data available for this compound.