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 180.9
[M+Na]+ 369.13219 189.2
[M-H]- 345.13569 194.1
[M+NH4]+ 364.17679 194.2
[M+K]+ 385.10613 184.0
[M+H-H2O]+ 329.14023 170.0
[M+HCOO]- 391.14117 212.4
[M+CH3COO]- 405.15682 227.0
[M+Na-2H]- 367.11764 187.1
[M]+ 346.14242 182.1
[M]- 346.14352 182.1
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.