CID 5273860

Schembl7697802

Structural Information

Molecular Formula
C18H12N2O2
SMILES
C1=CC=C2C=C3C(=CC2=C1)N=CC(=N3)C4=CC(=C(C=C4)O)O
InChI
InChI=1S/C18H12N2O2/c21-17-6-5-13(9-18(17)22)16-10-19-14-7-11-3-1-2-4-12(11)8-15(14)20-16/h1-10,21-22H
InChIKey
SOFCLODMDNQFGQ-UHFFFAOYSA-N
Compound name
4-benzo[g]quinoxalin-3-ylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.08987 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09715 165.7
[M+Na]+ 311.07909 176.9
[M-H]- 287.08259 170.0
[M+NH4]+ 306.12369 179.3
[M+K]+ 327.05303 169.5
[M+H-H2O]+ 271.08713 156.2
[M+HCOO]- 333.08807 184.0
[M+CH3COO]- 347.10372 177.0
[M+Na-2H]- 309.06454 175.1
[M]+ 288.08932 166.6
[M]- 288.09042 166.6
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