CID 482640

7-ethoxy-6-fluoro-3-methyl-2-phenylsulfonylquinoxaline-1,4-dioxide

Structural Information

Molecular Formula
C17H15FN2O5S
SMILES
CCOC1=C(C=C2C(=C1)[N+](=O)C(=C(N2[O-])C)S(=O)(=O)C3=CC=CC=C3)F
InChI
InChI=1S/C17H15FN2O5S/c1-3-25-16-10-15-14(9-13(16)18)19(21)11(2)17(20(15)22)26(23,24)12-7-5-4-6-8-12/h4-10H,3H2,1-2H3
InChIKey
CLYBULRRYZHOTL-UHFFFAOYSA-N
Compound name
2-(benzenesulfonyl)-7-ethoxy-6-fluoro-3-methyl-4-oxidoquinoxalin-1-ium 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.06857 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.07585 184.6
[M+Na]+ 401.05779 195.1
[M-H]- 377.06129 188.3
[M+NH4]+ 396.10239 194.5
[M+K]+ 417.03173 184.5
[M+H-H2O]+ 361.06583 179.4
[M+HCOO]- 423.06677 197.4
[M+CH3COO]- 437.08242 205.9
[M+Na-2H]- 399.04324 190.4
[M]+ 378.06802 187.6
[M]- 378.06912 187.6
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.