CID 109755

68213-96-7

Structural Information

Molecular Formula
C21H20N4O2
SMILES
CC1=CC(=C(C=C1)C)NN=C2C=CC(=O)C(=NNC3=CC=CC=C3C)C2=O
InChI
InChI=1S/C21H20N4O2/c1-13-8-9-15(3)18(12-13)24-23-17-10-11-19(26)20(21(17)27)25-22-16-7-5-4-6-14(16)2/h4-12,22,24H,1-3H3
InChIKey
AZTRKCIWOMTGDN-UHFFFAOYSA-N
Compound name
6-[(2,5-dimethylphenyl)hydrazinylidene]-2-[(2-methylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.15863 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.16591 186.1
[M+Na]+ 383.14785 194.8
[M-H]- 359.15135 199.5
[M+NH4]+ 378.19245 199.1
[M+K]+ 399.12179 189.6
[M+H-H2O]+ 343.15589 175.2
[M+HCOO]- 405.15683 217.2
[M+CH3COO]- 419.17248 231.3
[M+Na-2H]- 381.13330 191.0
[M]+ 360.15808 188.1
[M]- 360.15918 188.1
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.