CID 215932

Brn 0417137

Structural Information

Molecular Formula

C₁₄H₁₃N₃O₃

SMILES

CC1=CC(=NC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H13N3O3/c1-9-7-10(2)15-13(8-9)16-14(18)11-3-5-12(6-4-11)17(19)20/h3-8H,1-2H3,(H,15,16,18)

InChIKey

BDOZHDJNGDWOLP-UHFFFAOYSA-N

Compound name

N-(4,6-dimethyl-2-pyridinyl)-4-nitrobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 271.0957 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]+	272.102976	159.2
[M+Na]+	294.084918	165.9
[M-H]-	270.088424	165.1
[M+NH4]+	289.129523	172.9
[M+K]+	310.058858	158.6
[M+H-H2O]+	254.092960	155.1
[M+HCOO]-	316.093901	183.7
[M+CH3COO]-	330.109551	195.5
[M+Na-2H]-	292.070366	165.7
[M]+	271.09515142	157.9
[M]-	271.09624858	157.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.