CID 135501615

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

Structural Information

Molecular Formula
C11H8N4O4
SMILES
COC(=O)NC1=[N+](C2=CC=CC=C2[N+](=C1C#N)[O-])[O-]
InChI
InChI=1S/C11H8N4O4/c1-19-11(16)13-10-9(6-12)14(17)7-4-2-3-5-8(7)15(10)18/h2-5H,1H3,(H,13,16)
InChIKey
RNARHQNKYHCHHE-UHFFFAOYSA-N
Compound name
methyl 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

260.05457 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06185 163.3
[M+Na]+ 283.04379 172.5
[M-H]- 259.04729 162.3
[M+NH4]+ 278.08839 174.0
[M+K]+ 299.01773 160.1
[M+H-H2O]+ 243.05183 157.4
[M+HCOO]- 305.05277 178.8
[M+CH3COO]- 319.06842 191.4
[M+Na-2H]- 281.02924 171.4
[M]+ 260.05402 155.2
[M]- 260.05512 155.2
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.