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

literature stripe

Patent stripe

patents stripe