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
1
Annotation Hits

0
References

0
Patents

346.14297 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15025 183.1
[M+Na]+ 369.13219 197.7
[M+NH4]+ 364.17679 190.2
[M+K]+ 385.10613 188.6
[M-H]- 345.13569 192.1
[M+Na-2H]- 367.11764 194.5
[M]+ 346.14242 187.6
[M]- 346.14352 187.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.