CID 9664190

Glutaric acid, bis((5-nitrofurfurylidene)hydrazide)

Structural Information

Molecular Formula
C15H14N6O8
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)CCCC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C15H14N6O8/c22-12(18-16-8-10-4-6-14(28-10)20(24)25)2-1-3-13(23)19-17-9-11-5-7-15(29-11)21(26)27/h4-9H,1-3H2,(H,18,22)(H,19,23)/b16-8+,17-9+
InChIKey
COBZZKIKRBOGJE-GONBZBRSSA-N
Compound name
N,N'-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]pentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.0873 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.09458 194.1
[M+Na]+ 429.07652 194.7
[M-H]- 405.08002 204.2
[M+NH4]+ 424.12112 234.3
[M+K]+ 445.05046 187.7
[M+H-H2O]+ 389.08456 192.7
[M+HCOO]- 451.08550 244.4
[M+CH3COO]- 465.10115 218.6
[M+Na-2H]- 427.06197 203.1
[M]+ 406.08675 195.2
[M]- 406.08785 195.2
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.