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

1269
Patents

206.06914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.07642 141.5
[M+Na]+ 229.05836 152.3
[M-H]- 205.06186 141.9
[M+NH4]+ 224.10296 157.8
[M+K]+ 245.03230 143.7
[M+H-H2O]+ 189.06640 139.4
[M+HCOO]- 251.06734 161.2
[M+CH3COO]- 265.08299 174.4
[M+Na-2H]- 227.04381 150.8
[M]+ 206.06859 141.0
[M]- 206.06969 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.