CID 135438887

307325-07-1

Structural Information

Molecular Formula

C₁₆H₁₄N₄O₃

SMILES

C/C(=N\NC(=O)C1=NNC(=C1)C2=CC=CO2)/C3=CC=C(C=C3)O

InChI

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

InChIKey

XSKNKYKMAVQRER-LICLKQGHSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 310.1066 Da
Monoisotopic Mass: 2.1
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]+	311.113876	169.0
[M+Na]+	333.095818	176.0
[M-H]-	309.099324	177.1
[M+NH4]+	328.140423	181.4
[M+K]+	349.069758	172.9
[M+H-H2O]+	293.103860	160.0
[M+HCOO]-	355.104801	193.1
[M+CH3COO]-	369.120451	204.3
[M+Na-2H]-	331.081266	171.8
[M]+	310.10605142	170.0
[M]-	310.10714858	170.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.