CID 6868398

N'(1),n'(5)-bis(3-nitrobenzylidene)pentanedihydrazide

Structural Information

Molecular Formula
C19H18N6O6
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)CCCC(=O)N/N=C/C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C19H18N6O6/c26-18(22-20-12-14-4-1-6-16(10-14)24(28)29)8-3-9-19(27)23-21-13-15-5-2-7-17(11-15)25(30)31/h1-2,4-7,10-13H,3,8-9H2,(H,22,26)(H,23,27)/b20-12+,21-13+
InChIKey
SQNZMWWARSPCIZ-ZIOPAAQOSA-N
Compound name
N,N'-bis[(E)-(3-nitrophenyl)methylideneamino]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.12878 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.13606 205.0
[M+Na]+ 449.11800 210.0
[M+NH4]+ 444.16260 212.9
[M+K]+ 465.09194 218.2
[M-H]- 425.12150 201.0
[M+Na-2H]- 447.10345 199.9
[M]+ 426.12823 206.5
[M]- 426.12933 206.5
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.