CID 248911

N-carbamoyl-3-nitrobenzamide

Structural Information

Molecular Formula

C₈H₇N₃O₄

SMILES

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

InChI

InChI=1S/C8H7N3O4/c9-8(13)10-7(12)5-2-1-3-6(4-5)11(14)15/h1-4H,(H3,9,10,12,13)

InChIKey

QKQRYUWLAKVQOQ-UHFFFAOYSA-N

Compound name

N-carbamoyl-3-nitrobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 209.04366 Da
Monoisotopic Mass: 0.7
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]+	210.05094	140.5
[M+Na]+	232.03288	150.2
[M+NH4]+	227.07748	146.5
[M+K]+	248.00682	149.6
[M-H]-	208.03638	142.7
[M+Na-2H]-	230.01833	145.1
[M]+	209.04311	141.9
[M]-	209.04421	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe