CID 5273859

Schembl7697715

Structural Information

Molecular Formula
C18H13N3O2
SMILES
C1=CC=C2C=C3C(=CC2=C1)N=CC(=N3)NC4=CC(=C(C=C4)O)O
InChI
InChI=1S/C18H13N3O2/c22-16-6-5-13(9-17(16)23)20-18-10-19-14-7-11-3-1-2-4-12(11)8-15(14)21-18/h1-10,22-23H,(H,20,21)
InChIKey
BFZBLDHNWFSKIR-UHFFFAOYSA-N
Compound name
4-(benzo[g]quinoxalin-3-ylamino)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

303.10077 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10805 167.9
[M+Na]+ 326.08999 178.2
[M-H]- 302.09349 172.1
[M+NH4]+ 321.13459 180.6
[M+K]+ 342.06393 170.9
[M+H-H2O]+ 286.09803 158.3
[M+HCOO]- 348.09897 187.3
[M+CH3COO]- 362.11462 178.7
[M+Na-2H]- 324.07544 178.1
[M]+ 303.10022 168.3
[M]- 303.10132 168.3
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