CID 28143

Mequidox

Structural Information

Molecular Formula
C10H10N2O3
SMILES
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])CO
InChI
InChI=1S/C10H10N2O3/c1-7-10(6-13)12(15)9-5-3-2-4-8(9)11(7)14/h2-5,13H,6H2,1H3
InChIKey
MZRHTYDFTZJMLV-UHFFFAOYSA-N
Compound name
(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1292
Patents

206.06914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 141.5
[M+Na]+ 229.058358 152.3
[M-H]- 205.061864 141.9
[M+NH4]+ 224.102963 157.8
[M+K]+ 245.032298 143.7
[M+H-H2O]+ 189.066400 139.4
[M+HCOO]- 251.067341 161.2
[M+CH3COO]- 265.082991 174.4
[M+Na-2H]- 227.043806 150.8
[M]+ 206.06859142 141.0
[M]- 206.06968858 141.0
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.