CID 375018

Nsc653844

Structural Information

Molecular Formula

C₁₅H₁₃N₃O₃

SMILES

C1=CC=C(C(=C1)C(=O)NNC(C#N)C2=CC(=CC=C2)O)O

InChI

InChI=1S/C15H13N3O3/c16-9-13(10-4-3-5-11(19)8-10)17-18-15(21)12-6-1-2-7-14(12)20/h1-8,13,17,19-20H,(H,18,21)

InChIKey

CAWSZEWBPPNLAJ-UHFFFAOYSA-N

Compound name

N'-[cyano-(3-hydroxyphenyl)methyl]-2-hydroxybenzohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 283.0957 Da
Monoisotopic Mass: 2.3
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]+	284.102976	171.7
[M+Na]+	306.084918	178.8
[M-H]-	282.088424	174.5
[M+NH4]+	301.129523	183.3
[M+K]+	322.058858	174.1
[M+H-H2O]+	266.092960	157.5
[M+HCOO]-	328.093901	189.6
[M+CH3COO]-	342.109551	210.8
[M+Na-2H]-	304.070366	173.9
[M]+	283.09515142	163.7
[M]-	283.09624858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.