CID 11579806

2-quinoxalinecarbonitrile, 3-phenyl-, 1,4-dioxide

Structural Information

Molecular Formula
C15H9N3O2
SMILES
C1=CC=C(C=C1)C2=C([N+](=O)C3=CC=CC=C3N2[O-])C#N
InChI
InChI=1S/C15H9N3O2/c16-10-14-15(11-6-2-1-3-7-11)18(20)13-9-5-4-8-12(13)17(14)19/h1-9H
InChIKey
UEVRLCVBDJUNJX-UHFFFAOYSA-N
Compound name
4-oxido-1-oxo-3-phenylquinoxalin-1-ium-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

263.0695 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07678 164.8
[M+Na]+ 286.05872 176.5
[M-H]- 262.06222 167.1
[M+NH4]+ 281.10332 176.7
[M+K]+ 302.03266 164.5
[M+H-H2O]+ 246.06676 153.2
[M+HCOO]- 308.06770 181.2
[M+CH3COO]- 322.08335 199.0
[M+Na-2H]- 284.04417 172.1
[M]+ 263.06895 157.9
[M]- 263.07005 157.9
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