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]+ 453.249646 211.9
[M+Na]+ 475.231588 213.0
[M-H]- 451.235094 219.5
[M+NH4]+ 470.276193 220.1
[M+K]+ 491.205528 209.9
[M+H-H2O]+ 435.239630 200.0
[M+HCOO]- 497.240571 239.0
[M+CH3COO]- 511.256221 246.6
[M+Na-2H]- 473.217036 213.3
[M]+ 452.24182142 217.5
[M]- 452.24291858 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.