CID 5154387

5345-53-9

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₄

SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O4/c1-6(14)11-8-3-4-9(12-7(2)15)10(5-8)13(16)17/h3-5H,1-2H3,(H,11,14)(H,12,15)

InChIKey

WIBLBSKESAEFTC-UHFFFAOYSA-N

Compound name

N-(4-acetamido-3-nitrophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3
Patents: 237.07495 Da
Monoisotopic Mass: 0.3
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]+	238.08223	149.5
[M+Na]+	260.06417	159.4
[M+NH4]+	255.10877	155.3
[M+K]+	276.03811	158.3
[M-H]-	236.06767	151.8
[M+Na-2H]-	258.04962	153.8
[M]+	237.07440	151.0
[M]-	237.07550	151.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe