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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	304.108046	167.9
[M+Na]+	326.089988	178.2
[M-H]-	302.093494	172.1
[M+NH4]+	321.134593	180.6
[M+K]+	342.063928	170.9
[M+H-H2O]+	286.098030	158.3
[M+HCOO]-	348.098971	187.3
[M+CH3COO]-	362.114621	178.7
[M+Na-2H]-	324.075436	178.1
[M]+	303.10022142	168.3
[M]-	303.10131858	168.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe