CID 3011439

Akos005941928

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₃

SMILES

CC1=CC(=NC=C1)NC(=O)C2=C(C=CC(=C2)OC)O

InChI

InChI=1S/C14H14N2O3/c1-9-5-6-15-13(7-9)16-14(18)11-8-10(19-2)3-4-12(11)17/h3-8,17H,1-2H3,(H,15,16,18)

InChIKey

MSLFACRBRFEQQC-UHFFFAOYSA-N

Compound name

2-hydroxy-5-methoxy-N-(4-methyl-2-pyridinyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 258.10043 Da
Monoisotopic Mass: 2.6
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]+	259.107706	157.4
[M+Na]+	281.089648	165.3
[M-H]-	257.093154	162.1
[M+NH4]+	276.134253	172.0
[M+K]+	297.063588	162.0
[M+H-H2O]+	241.097690	149.2
[M+HCOO]-	303.098631	179.8
[M+CH3COO]-	317.114281	196.2
[M+Na-2H]-	279.075096	162.2
[M]+	258.09988142	158.5
[M]-	258.10097858	158.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.