CID 3018018

70593-32-7

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₃

SMILES

COC1=CC=C(C=C1)NC(=O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C14H13N3O3/c1-20-12-6-4-11(5-7-12)16-14(19)17-13(18)10-3-2-8-15-9-10/h2-9H,1H3,(H2,16,17,18,19)

InChIKey

OMWHNVIIGWUJNB-UHFFFAOYSA-N

Compound name

N-[(4-methoxyphenyl)carbamoyl]pyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 271.0957 Da
Monoisotopic Mass: 2.0
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]+	272.102976	160.1
[M+Na]+	294.084918	165.8
[M-H]-	270.088424	165.5
[M+NH4]+	289.129523	173.8
[M+K]+	310.058858	163.2
[M+H-H2O]+	254.092960	150.9
[M+HCOO]-	316.093901	184.3
[M+CH3COO]-	330.109551	200.1
[M+Na-2H]-	292.070366	166.1
[M]+	271.09515142	160.0
[M]-	271.09624858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe