CID 359862

Refchem:871961

Structural Information

Molecular Formula
C18H14N2O3
SMILES
CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CC=C3
InChI
InChI=1S/C18H14N2O3/c1-13-18(17(21)12-11-14-7-3-2-4-8-14)20(23)16-10-6-5-9-15(16)19(13)22/h2-12H,1H3
InChIKey
IOKWXGMNRWVQHX-UHFFFAOYSA-N
Compound name
1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

48
References

306
Patents

306.10043 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.10771 171.4
[M+Na]+ 329.08965 180.2
[M-H]- 305.09315 175.5
[M+NH4]+ 324.13425 183.3
[M+K]+ 345.06359 169.3
[M+H-H2O]+ 289.09769 166.4
[M+HCOO]- 351.09863 190.3
[M+CH3COO]- 365.11428 195.6
[M+Na-2H]- 327.07510 178.0
[M]+ 306.09988 170.4
[M]- 306.10098 170.4
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.