CID 740388

Chembl240334

Structural Information

Molecular Formula
C15H11N3O4
SMILES
C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=O)C3=C(C=C(C=C3)O)O
InChI
InChI=1S/C15H11N3O4/c19-8-5-6-10(12(20)7-8)14(21)18-17-13-9-3-1-2-4-11(9)16-15(13)22/h1-7,16,19-20,22H
InChIKey
OQXCFTUTCCNAGQ-UHFFFAOYSA-N
Compound name
2,4-dihydroxy-N-[(2-hydroxy-1H-indol-3-yl)imino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

297.07495 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.08223 162.5
[M+Na]+ 320.06417 171.7
[M-H]- 296.06767 167.9
[M+NH4]+ 315.10877 177.4
[M+K]+ 336.03811 167.2
[M+H-H2O]+ 280.07221 154.9
[M+HCOO]- 342.07315 186.4
[M+CH3COO]- 356.08880 201.8
[M+Na-2H]- 318.04962 168.1
[M]+ 297.07440 163.6
[M]- 297.07550 163.6
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

No patent data available for this compound.