CID 9689410

Chembl1958239

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₃

SMILES

COC1=CC=CC=C1/C=N/NC(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C15H14N2O3/c1-20-14-5-3-2-4-12(14)10-16-17-15(19)11-6-8-13(18)9-7-11/h2-10,18H,1H3,(H,17,19)/b16-10+

InChIKey

XANKWYYKEREIDY-MHWRWJLKSA-N

Compound name

4-hydroxy-N-[(E)-(2-methoxyphenyl)methylideneamino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 270.10043 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]+	271.10771	161.9
[M+Na]+	293.08965	174.2
[M+NH4]+	288.13425	168.9
[M+K]+	309.06359	167.5
[M-H]-	269.09315	166.3
[M+Na-2H]-	291.07510	170.3
[M]+	270.09988	164.7
[M]-	270.10098	164.7

Literature stripe

literature stripe

Patent stripe

patents stripe