CID 135496300

Carbamic acid, (3-cyano-1,4-dioxido-2-quinoxalinyl)-, ethyl ester

Structural Information

Molecular Formula
C12H10N4O4
SMILES
CCOC(=O)NC1=[N+](C2=CC=CC=C2[N+](=C1C#N)[O-])[O-]
InChI
InChI=1S/C12H10N4O4/c1-2-20-12(17)14-11-10(7-13)15(18)8-5-3-4-6-9(8)16(11)19/h3-6H,2H2,1H3,(H,14,17)
InChIKey
QLFXBOWLFCVPLS-UHFFFAOYSA-N
Compound name
ethyl N-(3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

274.0702 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07748 167.4
[M+Na]+ 297.05942 176.2
[M-H]- 273.06292 166.3
[M+NH4]+ 292.10402 177.7
[M+K]+ 313.03336 163.6
[M+H-H2O]+ 257.06746 161.3
[M+HCOO]- 319.06840 182.6
[M+CH3COO]- 333.08405 194.0
[M+Na-2H]- 295.04487 175.1
[M]+ 274.06965 159.6
[M]- 274.07075 159.6
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.