CID 72688

94213-17-9

Structural Information

Molecular Formula

C₁₀H₁₀N₄O₂

SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)C(=O)NN

InChI

InChI=1S/C10H10N4O2/c11-12-10(16)8-6-9(15)14(13-8)7-4-2-1-3-5-7/h1-5H,6,11H2,(H,12,16)

InChIKey

DITKFGSJTHKTSO-UHFFFAOYSA-N

Compound name

5-oxo-1-phenyl-4H-pyrazole-3-carbohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 218.08037 Da
Monoisotopic Mass: -0.1
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]+	219.087646	145.4
[M+Na]+	241.069588	153.0
[M-H]-	217.073094	149.7
[M+NH4]+	236.114193	161.9
[M+K]+	257.043528	150.1
[M+H-H2O]+	201.077630	136.9
[M+HCOO]-	263.078571	169.2
[M+CH3COO]-	277.094221	189.9
[M+Na-2H]-	239.055036	149.5
[M]+	218.07982142	142.6
[M]-	218.08091858	142.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.