CID 200720

N-(1-phenylpyrazol-4-yl)acetamide

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

CC(=O)NC1=CN(N=C1)C2=CC=CC=C2

InChI

InChI=1S/C11H11N3O/c1-9(15)13-10-7-12-14(8-10)11-5-3-2-4-6-11/h2-8H,1H3,(H,13,15)

InChIKey

ABVBPVQLIRTXHZ-UHFFFAOYSA-N

Compound name

N-(1-phenylpyrazol-4-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 201.09021 Da
Monoisotopic Mass: 1.1
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]+	202.09749	143.9
[M+Na]+	224.07943	156.3
[M+NH4]+	219.12403	151.6
[M+K]+	240.05337	151.9
[M-H]-	200.08293	146.7
[M+Na-2H]-	222.06488	152.1
[M]+	201.08966	146.2
[M]-	201.09076	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe