CID 9613861

N'(1),n'(9)-bis(4-methoxybenzylidene)nonanedihydrazide

Structural Information

Molecular Formula
C25H32N4O4
SMILES
COC1=CC=C(C=C1)/C=N/NC(=O)CCCCCCCC(=O)N/N=C/C2=CC=C(C=C2)OC
InChI
InChI=1S/C25H32N4O4/c1-32-22-14-10-20(11-15-22)18-26-28-24(30)8-6-4-3-5-7-9-25(31)29-27-19-21-12-16-23(33-2)17-13-21/h10-19H,3-9H2,1-2H3,(H,28,30)(H,29,31)/b26-18+,27-19+
InChIKey
QNOVMQMSHUTQKF-BFNWXZRRSA-N
Compound name
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]nonanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.24237 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.24965 211.9
[M+Na]+ 475.23159 213.0
[M-H]- 451.23509 219.5
[M+NH4]+ 470.27619 220.1
[M+K]+ 491.20553 209.9
[M+H-H2O]+ 435.23963 200.0
[M+HCOO]- 497.24057 239.0
[M+CH3COO]- 511.25622 246.6
[M+Na-2H]- 473.21704 213.3
[M]+ 452.24182 217.5
[M]- 452.24292 217.5
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.