CID 3046679

Pyrazole, 3-acetamido-4-phenyl-

Structural Information

Molecular Formula

C₁₁H₁₁N₃O

SMILES

CC(=O)NC1=C(C=NN1)C2=CC=CC=C2

InChI

InChI=1S/C11H11N3O/c1-8(15)13-11-10(7-12-14-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14,15)

InChIKey

NRCCSMDEQBHBTL-UHFFFAOYSA-N

Compound name

N-(4-phenyl-1H-pyrazol-5-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 201.09021 Da
Monoisotopic Mass: 1.4
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	143.2
[M+Na]+	224.07943	150.7
[M-H]-	200.08293	146.3
[M+NH4]+	219.12403	160.2
[M+K]+	240.05337	146.9
[M+H-H2O]+	184.08747	135.0
[M+HCOO]-	246.08841	165.8
[M+CH3COO]-	260.10406	183.1
[M+Na-2H]-	222.06488	148.4
[M]+	201.08966	140.9
[M]-	201.09076	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe