CID 135509058

Chembl2094365

Structural Information

Molecular Formula

C₁₃H₁₃N₃O₂

SMILES

COC1=CC(=C(C=C1)O)/C=N/NC2=CC=CC=N2

InChI

InChI=1S/C13H13N3O2/c1-18-11-5-6-12(17)10(8-11)9-15-16-13-4-2-3-7-14-13/h2-9,17H,1H3,(H,14,16)/b15-9+

InChIKey

RLGKTXSVMLLUMB-OQLLNIDSSA-N

Compound name

4-methoxy-2-[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 243.10077 Da
Monoisotopic Mass: 2.4
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]+	244.108046	152.5
[M+Na]+	266.089988	160.0
[M-H]-	242.093494	158.3
[M+NH4]+	261.134593	168.0
[M+K]+	282.063928	156.5
[M+H-H2O]+	226.098030	143.7
[M+HCOO]-	288.098971	178.7
[M+CH3COO]-	302.114621	196.5
[M+Na-2H]-	264.075436	160.7
[M]+	243.10022142	153.2
[M]-	243.10131858	153.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.