CID 3062559

Compound g8

Structural Information

Molecular Formula
C16H14N2O5
SMILES
COC1=CC(=C(C=C1)O)C(C2=C[N+](=O)C3=CC=CC=C3N2[O-])O
InChI
InChI=1S/C16H14N2O5/c1-23-10-6-7-15(19)11(8-10)16(20)14-9-17(21)12-4-2-3-5-13(12)18(14)22/h2-9,16,19-20H,1H3
InChIKey
OUPMUGIXWNVDSN-UHFFFAOYSA-N
Compound name
2-[hydroxy-(1-oxido-4-oxoquinoxalin-4-ium-2-yl)methyl]-4-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

503
Patents

314.09027 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09755 169.3
[M+Na]+ 337.07949 185.8
[M+NH4]+ 332.12409 175.7
[M+K]+ 353.05343 182.1
[M-H]- 313.08299 172.5
[M+Na-2H]- 335.06494 175.7
[M]+ 314.08972 172.5
[M]- 314.09082 172.5
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

patents stripe