CID 2827658

3-nitro-n-(1-phenylethyl)benzamide

Structural Information

Molecular Formula

C₁₅H₁₄N₂O₃

SMILES

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

InChI

InChI=1S/C15H14N2O3/c1-11(12-6-3-2-4-7-12)16-15(18)13-8-5-9-14(10-13)17(19)20/h2-11H,1H3,(H,16,18)

InChIKey

HYYSQFKMJYMIOP-UHFFFAOYSA-N

Compound name

3-nitro-N-(1-phenylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 270.10043 Da
Monoisotopic Mass: 2.9
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]+	271.10771	159.9
[M+Na]+	293.08965	173.1
[M+NH4]+	288.13425	167.5
[M+K]+	309.06359	169.3
[M-H]-	269.09315	165.5
[M+Na-2H]-	291.07510	168.3
[M]+	270.09988	163.2
[M]-	270.10098	163.2

Literature stripe

literature stripe

Patent stripe

patents stripe