CID 404294

Methanone, (3-methyl-1,4-dioxido-2-quinoxalinyl)phenyl-

Structural Information

Molecular Formula
C16H12N2O3
SMILES
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H12N2O3/c1-11-15(16(19)12-7-3-2-4-8-12)18(21)14-10-6-5-9-13(14)17(11)20/h2-10H,1H3
InChIKey
XFBLYNKNXQDAOQ-UHFFFAOYSA-N
Compound name
(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

280.08478 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.09206 162.6
[M+Na]+ 303.07400 172.0
[M-H]- 279.07750 167.0
[M+NH4]+ 298.11860 175.6
[M+K]+ 319.04794 162.2
[M+H-H2O]+ 263.08204 158.0
[M+HCOO]- 325.08298 182.1
[M+CH3COO]- 339.09863 191.2
[M+Na-2H]- 301.05945 170.3
[M]+ 280.08423 161.8
[M]- 280.08533 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.