CID 110018

68310-04-3

Structural Information

Molecular Formula
C32H42N4O2
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)NN=C2C(=O)C=CC(=NNC3=C(C=C(C=C3)C)C)C2=O
InChI
InChI=1S/C32H42N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-26-16-18-27(19-17-26)33-36-31-30(37)22-21-29(32(31)38)35-34-28-20-15-24(2)23-25(28)3/h15-23,33-34H,4-14H2,1-3H3
InChIKey
RNYLPFLJEGTSBN-UHFFFAOYSA-N
Compound name
6-[(2,4-dimethylphenyl)hydrazinylidene]-2-[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

514.33075 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.33803 236.5
[M+Na]+ 537.31997 248.8
[M+NH4]+ 532.36457 241.4
[M+K]+ 553.29391 237.1
[M-H]- 513.32347 245.0
[M+Na-2H]- 535.30542 244.4
[M]+ 514.33020 240.5
[M]- 514.33130 240.5
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.