CID 3011434

Akos000207518

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

CC1=CC(=C(C=C1)O)C(=O)NC2=C(C=CC=N2)C

InChI

InChI=1S/C14H14N2O2/c1-9-5-6-12(17)11(8-9)14(18)16-13-10(2)4-3-7-15-13/h3-8,17H,1-2H3,(H,15,16,18)

InChIKey

QCTCDZRMGJLJLY-UHFFFAOYSA-N

Compound name

2-hydroxy-5-methyl-N-(3-methyl-2-pyridinyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 242.10553 Da
Monoisotopic Mass: 2.9
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]+	243.112806	154.4
[M+Na]+	265.094748	162.5
[M-H]-	241.098254	159.2
[M+NH4]+	260.139353	169.8
[M+K]+	281.068688	158.6
[M+H-H2O]+	225.102790	146.5
[M+HCOO]-	287.103731	176.7
[M+CH3COO]-	301.119381	194.0
[M+Na-2H]-	263.080196	159.1
[M]+	242.10498142	154.1
[M]-	242.10607858	154.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.