CID 466444

1,4-dioxide of 3,7-dichloro-6-methoxy-2-quinoxalinacarbonitrile

Structural Information

Molecular Formula
C10H5Cl2N3O3
SMILES
COC1=C(C=C2C(=C1)N(C(=C([N+]2=O)C#N)Cl)[O-])Cl
InChI
InChI=1S/C10H5Cl2N3O3/c1-18-9-3-7-6(2-5(9)11)14(16)8(4-13)10(12)15(7)17/h2-3H,1H3
InChIKey
MTKKLMHNMLOHOC-UHFFFAOYSA-N
Compound name
3,7-dichloro-6-methoxy-4-oxido-1-oxoquinoxalin-1-ium-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.9708 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.97808 158.1
[M+Na]+ 307.96002 172.3
[M-H]- 283.96352 158.0
[M+NH4]+ 303.00462 171.4
[M+K]+ 323.93396 161.9
[M+H-H2O]+ 267.96806 150.3
[M+HCOO]- 329.96900 166.5
[M+CH3COO]- 343.98465 200.5
[M+Na-2H]- 305.94547 163.8
[M]+ 284.97025 157.0
[M]- 284.97135 157.0
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

No patent data available for this compound.