CID 101345

7498-40-0

Structural Information

Molecular Formula

C₁₂H₉N₃O₃

SMILES

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

InChI

InChI=1S/C12H9N3O3/c16-12(14-11-3-1-2-8-13-11)9-4-6-10(7-5-9)15(17)18/h1-8H,(H,13,14,16)

InChIKey

TVVXMFINZFSSKR-UHFFFAOYSA-N

Compound name

4-nitro-N-pyridin-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 26
Patents: 243.06439 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]+	244.07167	149.9
[M+Na]+	266.05361	163.8
[M+NH4]+	261.09821	157.3
[M+K]+	282.02755	160.2
[M-H]-	242.05711	155.0
[M+Na-2H]-	264.03906	159.1
[M]+	243.06384	153.1
[M]-	243.06494	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe