CID 135684746

303106-46-9

Structural Information

Molecular Formula

C₁₇H₁₆N₄O₃

SMILES

CC1=CC=C(O1)C2=CC(=NN2)C(=O)N/N=C(\C)/C3=CC=CC=C3O

InChI

InChI=1S/C17H16N4O3/c1-10-7-8-16(24-10)13-9-14(20-19-13)17(23)21-18-11(2)12-5-3-4-6-15(12)22/h3-9,22H,1-2H3,(H,19,20)(H,21,23)/b18-11+

InChIKey

MUFPTFQTMBFSIE-WOJGMQOQSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 324.12225 Da
Monoisotopic Mass: 2.5
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]+	325.129526	174.3
[M+Na]+	347.111468	181.7
[M-H]-	323.114974	182.6
[M+NH4]+	342.156073	186.4
[M+K]+	363.085408	178.5
[M+H-H2O]+	307.119510	165.4
[M+HCOO]-	369.120451	198.0
[M+CH3COO]-	383.136101	208.5
[M+Na-2H]-	345.096916	175.8
[M]+	324.12170142	176.0
[M]-	324.12279858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.