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 169.5
[M+Na]+ 337.07949 178.1
[M-H]- 313.08299 171.6
[M+NH4]+ 332.12409 179.9
[M+K]+ 353.05343 168.6
[M+H-H2O]+ 297.08753 165.2
[M+HCOO]- 359.08847 186.1
[M+CH3COO]- 373.10412 192.5
[M+Na-2H]- 335.06494 176.2
[M]+ 314.08972 169.0
[M]- 314.09082 169.0
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