CID 6864981

3-(2-ethoxyphenyl)-n'-(4-isopropylbenzylidene)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula

C₂₂H₂₄N₄O₂

SMILES

CCOC1=CC=CC=C1C2=NNC(=C2)C(=O)N/N=C/C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H24N4O2/c1-4-28-21-8-6-5-7-18(21)19-13-20(25-24-19)22(27)26-23-14-16-9-11-17(12-10-16)15(2)3/h5-15H,4H2,1-3H3,(H,24,25)(H,26,27)/b23-14+

InChIKey

VWFZDLQVHZVVSM-OEAKJJBVSA-N

Compound name

3-(2-ethoxyphenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]-1H-pyrazole-5-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 376.1899 Da
Monoisotopic Mass: 4.6
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]+	377.197176	192.1
[M+Na]+	399.179118	197.0
[M-H]-	375.182624	199.3
[M+NH4]+	394.223723	202.0
[M+K]+	415.153058	191.6
[M+H-H2O]+	359.187160	181.1
[M+HCOO]-	421.188101	214.0
[M+CH3COO]-	435.203751	223.4
[M+Na-2H]-	397.164566	192.5
[M]+	376.18935142	192.9
[M]-	376.19044858	192.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.