CID 135720037

N'-(4-hydroxybenzylidene)-3-(5-methyl-2-furyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula

C₁₆H₁₄N₄O₃

SMILES

CC1=CC=C(O1)C2=CC(=NN2)C(=O)N/N=C/C3=CC=C(C=C3)O

InChI

InChI=1S/C16H14N4O3/c1-10-2-7-15(23-10)13-8-14(19-18-13)16(22)20-17-9-11-3-5-12(21)6-4-11/h2-9,21H,1H3,(H,18,19)(H,20,22)/b17-9+

InChIKey

OWVJRPYIOVNKLE-RQZCQDPDSA-N

Compound name

N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.1066 Da
Monoisotopic Mass: 2.3
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]+	311.113876	169.0
[M+Na]+	333.095818	177.3
[M-H]-	309.099324	177.3
[M+NH4]+	328.140423	181.8
[M+K]+	349.069758	173.6
[M+H-H2O]+	293.103860	160.1
[M+HCOO]-	355.104801	194.1
[M+CH3COO]-	369.120451	180.8
[M+Na-2H]-	331.081266	172.2
[M]+	310.10605142	171.0
[M]-	310.10714858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.