CID 504720

2-quinoxalinecarboxamide, 7-chloro-n-(1,1-dimethylethyl)-3-methyl-, 1,4-dioxide

Structural Information

Molecular Formula
C14H16ClN3O3
SMILES
CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C(=O)NC(C)(C)C
InChI
InChI=1S/C14H16ClN3O3/c1-8-12(13(19)16-14(2,3)4)18(21)11-7-9(15)5-6-10(11)17(8)20/h5-7H,1-4H3,(H,16,19)
InChIKey
CRKGTOPGJRRONL-UHFFFAOYSA-N
Compound name
N-tert-butyl-7-chloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.088 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.09528 169.3
[M+Na]+ 332.07722 179.5
[M-H]- 308.08072 170.8
[M+NH4]+ 327.12182 182.9
[M+K]+ 348.05116 170.0
[M+H-H2O]+ 292.08526 167.7
[M+HCOO]- 354.08620 183.1
[M+CH3COO]- 368.10185 197.6
[M+Na-2H]- 330.06267 176.4
[M]+ 309.08745 171.6
[M]- 309.08855 171.6
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.