CID 9576486

Einecs 269-349-6

Structural Information

Molecular Formula

C₂₀H₁₈N₄O₂

SMILES

CC1=CC=CC=C1N/N=C\2/C=CC(=O)/C(=N\NC3=CC=CC=C3C)/C2=O

InChI

InChI=1S/C20H18N4O2/c1-13-7-3-5-9-15(13)21-23-17-11-12-18(25)19(20(17)26)24-22-16-10-6-4-8-14(16)2/h3-12,21-22H,1-2H3/b23-17-,24-19+

InChIKey

KTENGKIMVRVING-VJDDLIIDSA-N

Compound name

(2E,6Z)-2,6-bis[(2-methylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 346.14297 Da
Monoisotopic Mass: 4.4
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	180.9
[M+Na]+	369.132188	189.2
[M-H]-	345.135694	194.1
[M+NH4]+	364.176793	194.2
[M+K]+	385.106128	184.0
[M+H-H2O]+	329.140230	170.0
[M+HCOO]-	391.141171	212.4
[M+CH3COO]-	405.156821	227.0
[M+Na-2H]-	367.117636	187.1
[M]+	346.14242142	182.1
[M]-	346.14351858	182.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.