CID 10967369

1222-43-1

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₅

SMILES

CN1C2=CC(=C(C=C2N=C(C1=O)C(=O)O)OC)OC

InChI

InChI=1S/C12H12N2O5/c1-14-7-5-9(19-3)8(18-2)4-6(7)13-10(11(14)15)12(16)17/h4-5H,1-3H3,(H,16,17)

InChIKey

AAFOBWIAEKIODG-UHFFFAOYSA-N

Compound name

6,7-dimethoxy-4-methyl-3-oxoquinoxaline-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 264.07462 Da
Monoisotopic Mass: 1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	265.081896	154.2
[M+Na]+	287.063838	165.6
[M-H]-	263.067344	156.0
[M+NH4]+	282.108443	169.1
[M+K]+	303.037778	163.3
[M+H-H2O]+	247.071880	146.8
[M+HCOO]-	309.072821	173.7
[M+CH3COO]-	323.088471	196.7
[M+Na-2H]-	285.049286	159.1
[M]+	264.07407142	160.2
[M]-	264.07516858	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe