CID 16007289

281209-71-0

Structural Information

Molecular Formula
C13H15Cl2N3O2S
SMILES
CC(C)(C)NC1=NC2=CC(=C(C=C2N=C1S(=O)(=O)C)Cl)Cl
InChI
InChI=1S/C13H15Cl2N3O2S/c1-13(2,3)18-11-12(21(4,19)20)17-10-6-8(15)7(14)5-9(10)16-11/h5-6H,1-4H3,(H,16,18)
InChIKey
GNZCSGYHILBXLL-UHFFFAOYSA-N
Compound name
N-tert-butyl-6,7-dichloro-3-methylsulfonylquinoxalin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

2752
Patents

347.0262 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.03348 180.9
[M+Na]+ 370.01542 194.6
[M+NH4]+ 365.06002 187.8
[M+K]+ 385.98936 186.1
[M-H]- 346.01892 181.4
[M+Na-2H]- 368.00087 185.6
[M]+ 347.02565 184.1
[M]- 347.02675 184.1
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

patents stripe