CID 404291

Mequindox

Structural Information

Molecular Formula
C11H10N2O3
SMILES
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C
InChI
InChI=1S/C11H10N2O3/c1-7-11(8(2)14)13(16)10-6-4-3-5-9(10)12(7)15/h3-6H,1-2H3
InChIKey
CUJMCPPBTUATEJ-UHFFFAOYSA-N
Compound name
1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

50
References

358
Patents

218.06914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.07642 144.0
[M+Na]+ 241.05836 154.9
[M-H]- 217.06186 145.8
[M+NH4]+ 236.10296 160.5
[M+K]+ 257.03230 146.9
[M+H-H2O]+ 201.06640 141.8
[M+HCOO]- 263.06734 164.2
[M+CH3COO]- 277.08299 180.0
[M+Na-2H]- 239.04381 152.2
[M]+ 218.06859 144.4
[M]- 218.06969 144.4
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

patents stripe