CID 403951

Nsc719717

Structural Information

Molecular Formula
C14H15Cl2N3O3
SMILES
CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)NC(C)(C)C
InChI
InChI=1S/C14H15Cl2N3O3/c1-7-12(13(20)17-14(2,3)4)19(22)11-6-9(16)8(15)5-10(11)18(7)21/h5-6H,1-4H3,(H,17,20)
InChIKey
LMMMHTIDWFGMCW-UHFFFAOYSA-N
Compound name
N-tert-butyl-6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

343.04904 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.05632 175.5
[M+Na]+ 366.03826 186.3
[M-H]- 342.04176 176.3
[M+NH4]+ 361.08286 188.3
[M+K]+ 382.01220 176.2
[M+H-H2O]+ 326.04630 174.7
[M+HCOO]- 388.04724 184.0
[M+CH3COO]- 402.06289 203.2
[M+Na-2H]- 364.02371 180.9
[M]+ 343.04849 179.2
[M]- 343.04959 179.2
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.