CID 135683640

325807-44-1

Structural Information

Molecular Formula

C₁₆H₁₃N₃O₃

SMILES

C1=CC=C2C(=C1)C(=CN2)/C=N/NC(=O)C3=C(C=C(C=C3)O)O

InChI

InChI=1S/C16H13N3O3/c20-11-5-6-13(15(21)7-11)16(22)19-18-9-10-8-17-14-4-2-1-3-12(10)14/h1-9,17,20-21H,(H,19,22)/b18-9+

InChIKey

ZNSQKCGIRWNJBM-GIJQJNRQSA-N

Compound name

2,4-dihydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 295.0957 Da
Monoisotopic Mass: 2.8
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]+	296.102976	163.8
[M+Na]+	318.084918	171.9
[M-H]-	294.088424	168.6
[M+NH4]+	313.129523	178.6
[M+K]+	334.058858	166.3
[M+H-H2O]+	278.092960	155.9
[M+HCOO]-	340.093901	187.2
[M+CH3COO]-	354.109551	201.2
[M+Na-2H]-	316.070366	169.4
[M]+	295.09515142	163.4
[M]-	295.09624858	163.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.