CID 482644

3-methyl-2-phenylsulfonylquinoxaline-1,4-dioxide

Structural Information

Molecular Formula
C15H12N2O4S
SMILES
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O4S/c1-11-15(22(20,21)12-7-3-2-4-8-12)17(19)14-10-6-5-9-13(14)16(11)18/h2-10H,1H3
InChIKey
CTLVKPIGLCLINB-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.0518 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05908 169.5
[M+Na]+ 339.04102 179.8
[M-H]- 315.04452 174.4
[M+NH4]+ 334.08562 181.7
[M+K]+ 355.01496 169.4
[M+H-H2O]+ 299.04906 165.7
[M+HCOO]- 361.05000 184.2
[M+CH3COO]- 375.06565 192.8
[M+Na-2H]- 337.02647 177.7
[M]+ 316.05125 170.8
[M]- 316.05235 170.8
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.