CID 6868396

N'(1),n'(5)-bis(4-nitrobenzylidene)pentanedihydrazide

Structural Information

Molecular Formula
C19H18N6O6
SMILES
C1=CC(=CC=C1/C=N/NC(=O)CCCC(=O)N/N=C/C2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C19H18N6O6/c26-18(22-20-12-14-4-8-16(9-5-14)24(28)29)2-1-3-19(27)23-21-13-15-6-10-17(11-7-15)25(30)31/h4-13H,1-3H2,(H,22,26)(H,23,27)/b20-12+,21-13+
InChIKey
AAXACTHSNRWYEX-ZIOPAAQOSA-N
Compound name
N,N'-bis[(E)-(4-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 194.4
[M+Na]+ 449.11800 193.8
[M-H]- 425.12150 201.9
[M+NH4]+ 444.16260 234.4
[M+K]+ 465.09194 183.7
[M+H-H2O]+ 409.12604 191.6
[M+HCOO]- 471.12698 243.1
[M+CH3COO]- 485.14263 225.4
[M+Na-2H]- 447.10345 201.9
[M]+ 426.12823 191.4
[M]- 426.12933 191.4
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.