CID 71905

Olaquindox

Structural Information

Molecular Formula
C12H13N3O4
SMILES
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)NCCO
InChI
InChI=1S/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)
InChIKey
TURHTASYUMWZCC-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

168
References

2267
Patents

263.0906 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.09788 155.6
[M+Na]+ 286.07982 164.4
[M-H]- 262.08332 155.7
[M+NH4]+ 281.12442 169.0
[M+K]+ 302.05376 155.8
[M+H-H2O]+ 246.08786 152.8
[M+HCOO]- 308.08880 175.0
[M+CH3COO]- 322.10445 186.6
[M+Na-2H]- 284.06527 163.6
[M]+ 263.09005 155.0
[M]- 263.09115 155.0
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