CID 5274056

Chembl4559588

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₃

SMILES

COC1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C15H12N2O3/c1-20-12-6-7-13(14(18)8-12)15(19)17-11-4-2-10(9-16)3-5-11/h2-8,18H,1H3,(H,17,19)

InChIKey

YDOBFTYIPAWRTM-UHFFFAOYSA-N

Compound name

N-(4-cyanophenyl)-2-hydroxy-4-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 268.08478 Da
Monoisotopic Mass: 3.0
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]+	269.092056	165.3
[M+Na]+	291.073998	174.9
[M-H]-	267.077504	169.8
[M+NH4]+	286.118603	178.9
[M+K]+	307.047938	170.1
[M+H-H2O]+	251.082040	151.4
[M+HCOO]-	313.082981	184.7
[M+CH3COO]-	327.098631	208.3
[M+Na-2H]-	289.059446	168.3
[M]+	268.08423142	160.6
[M]-	268.08532858	160.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.