CID 135411254

Carbamic acid, (3-cyano-6,7-dimethyl-1,4-dioxido-2-quinoxalinyl)-, ethyl ester

Structural Information

Molecular Formula
C14H14N4O4
SMILES
CCOC(=O)NC1=[N+](C2=C(C=C(C(=C2)C)C)[N+](=C1C#N)[O-])[O-]
InChI
InChI=1S/C14H14N4O4/c1-4-22-14(19)16-13-12(7-15)17(20)10-5-8(2)9(3)6-11(10)18(13)21/h5-6H,4H2,1-3H3,(H,16,19)
InChIKey
BFGWWFSMRSEWCW-UHFFFAOYSA-N
Compound name
ethyl N-(3-cyano-6,7-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.1015 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.10878 175.9
[M+Na]+ 325.09072 185.4
[M-H]- 301.09422 175.2
[M+NH4]+ 320.13532 185.7
[M+K]+ 341.06466 172.7
[M+H-H2O]+ 285.09876 170.0
[M+HCOO]- 347.09970 190.5
[M+CH3COO]- 361.11535 201.3
[M+Na-2H]- 323.07617 181.6
[M]+ 302.10095 169.4
[M]- 302.10205 169.4
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.