CID 163072

65087-00-5

Structural Information

Molecular Formula
C42H62N4O2
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)NN=C2C=CC(=O)C(=NNC3=CC=C(C=C3)CCCCCCCCCCCC)C2=O
InChI
InChI=1S/C42H62N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-35-25-29-37(30-26-35)43-45-39-33-34-40(47)41(42(39)48)46-44-38-31-27-36(28-32-38)24-22-20-18-16-14-12-10-8-6-4-2/h25-34,43-44H,3-24H2,1-2H3
InChIKey
HSXZUJITRDSCOP-UHFFFAOYSA-N
Compound name
2,6-bis[(4-dodecylphenyl)hydrazinylidene]cyclohex-4-ene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

654.4873 Da
Monoisotopic Mass

16.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 655.49458 272.6
[M+Na]+ 677.47652 270.4
[M-H]- 653.48002 280.7
[M+NH4]+ 672.52112 272.6
[M+K]+ 693.45046 261.2
[M+H-H2O]+ 637.48456 257.0
[M+HCOO]- 699.48550 296.0
[M+CH3COO]- 713.50115 290.4
[M+Na-2H]- 675.46197 267.7
[M]+ 654.48675 280.5
[M]- 654.48785 280.5
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.