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]+ 235.09514 147.1
[M+Na]+ 257.07708 156.2
[M-H]- 233.08058 146.9
[M+NH4]+ 252.12168 163.8
[M+K]+ 273.05102 148.5
[M+H-H2O]+ 217.08512 147.2
[M+HCOO]- 279.08606 166.6
[M+CH3COO]- 293.10171 181.5
[M+Na-2H]- 255.06253 156.3
[M]+ 234.08731 144.0
[M]- 234.08841 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.