CID 160218

Alpha-(1,4-dioxido-3-methylquinoxalin-2-yl)-n-methylnitrone

Structural Information

Molecular Formula
C11H12N3O3
SMILES
CC1=C([N+](C2=CC=CC=C2N1[O-])(O)[O-])C=NC
InChI
InChI=1S/C11H12N3O3/c1-8-11(7-12-2)14(16,17)10-6-4-3-5-9(10)13(8)15/h3-7,16H,1-2H3/q-1
InChIKey
UXUBGEFTLHXSKY-UHFFFAOYSA-N
Compound name
1-(1-hydroxy-3-methyl-1,4-dioxidoquinoxalin-1-ium-2-yl)-N-methylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

234.08786 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.095136 147.1
[M+Na]+ 257.077078 156.2
[M-H]- 233.080584 146.9
[M+NH4]+ 252.121683 163.8
[M+K]+ 273.051018 148.5
[M+H-H2O]+ 217.085120 147.2
[M+HCOO]- 279.086061 166.6
[M+CH3COO]- 293.101711 181.5
[M+Na-2H]- 255.062526 156.3
[M]+ 234.08731142 144.0
[M]- 234.08840858 144.0
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.