CID 510569

1,4-dihydroxy-3,7-dimethylquinoxalin-2-yl phenyl ketone

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CC=C3)C)[O-]
InChI
InChI=1S/C17H14N2O3/c1-11-8-9-14-15(10-11)19(22)16(12(2)18(14)21)17(20)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
AVMRZJHGUXMWFA-UHFFFAOYSA-N
Compound name
(3,7-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.10043 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 167.3
[M+Na]+ 317.08965 177.2
[M-H]- 293.09315 172.0
[M+NH4]+ 312.13425 180.1
[M+K]+ 333.06359 167.2
[M+H-H2O]+ 277.09769 162.7
[M+HCOO]- 339.09863 186.4
[M+CH3COO]- 353.11428 195.3
[M+Na-2H]- 315.07510 173.8
[M]+ 294.09988 167.2
[M]- 294.10098 167.2
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.