CID 3013078

1-(2,3-dimethyl-1,4-dioxy-quinoxalin-6-yl)-ethanone

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CC1=C([N+](=O)C2=C(N1[O-])C=C(C=C2)C(=O)C)C
InChI
InChI=1S/C12H12N2O3/c1-7-8(2)14(17)12-6-10(9(3)15)4-5-11(12)13(7)16/h4-6H,1-3H3
InChIKey
LBNQKVSKYUQMEG-UHFFFAOYSA-N
Compound name
1-(2,3-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-6-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 148.4
[M+Na]+ 255.074018 159.8
[M-H]- 231.077524 150.4
[M+NH4]+ 250.118623 164.6
[M+K]+ 271.047958 151.5
[M+H-H2O]+ 215.082060 146.2
[M+HCOO]- 277.083001 168.2
[M+CH3COO]- 291.098651 184.2
[M+Na-2H]- 253.059466 155.4
[M]+ 232.08425142 149.5
[M]- 232.08534858 149.5
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.