CID 45054782

N'-(4-((4-methylbenzyl)oxy)benzylidene)-2-pyrazinecarbohydrazide

Structural Information

Molecular Formula

C₂₀H₁₈N₄O₂

SMILES

CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)C3=NC=CN=C3

InChI

InChI=1S/C20H18N4O2/c1-15-2-4-17(5-3-15)14-26-18-8-6-16(7-9-18)12-23-24-20(25)19-13-21-10-11-22-19/h2-13H,14H2,1H3,(H,24,25)/b23-12+

InChIKey

OKHQXSWTTPQCQH-FSJBWODESA-N

Compound name

N-[(E)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]pyrazine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 346.14297 Da
Monoisotopic Mass: 2.9
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]+	347.150246	182.3
[M+Na]+	369.132188	188.2
[M-H]-	345.135694	190.3
[M+NH4]+	364.176793	191.9
[M+K]+	385.106128	183.0
[M+H-H2O]+	329.140230	170.2
[M+HCOO]-	391.141171	206.4
[M+CH3COO]-	405.156821	218.0
[M+Na-2H]-	367.117636	188.8
[M]+	346.14242142	183.4
[M]-	346.14351858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.