CID 5274902

N-(4-methoxyphenyl)-3-sulfanyl-pyridine-2-carboxamide

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂S

SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(C=CC=N2)S

InChI

InChI=1S/C13H12N2O2S/c1-17-10-6-4-9(5-7-10)15-13(16)12-11(18)3-2-8-14-12/h2-8,18H,1H3,(H,15,16)

InChIKey

WXLRVVGNOXVPBL-UHFFFAOYSA-N

Compound name

N-(4-methoxyphenyl)-3-sulfanylpyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 260.06195 Da
Monoisotopic Mass: 2.1
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]+	261.069226	156.1
[M+Na]+	283.051168	164.3
[M-H]-	259.054674	162.0
[M+NH4]+	278.095773	171.8
[M+K]+	299.025108	160.3
[M+H-H2O]+	243.059210	148.0
[M+HCOO]-	305.060151	175.0
[M+CH3COO]-	319.075801	195.9
[M+Na-2H]-	281.036616	159.8
[M]+	260.06140142	159.0
[M]-	260.06249858	159.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.