CID 9570572

Brn 0375836

Structural Information

Molecular Formula
C16H16N6O8
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)CCCCC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C16H16N6O8/c23-13(19-17-9-11-5-7-15(29-11)21(25)26)3-1-2-4-14(24)20-18-10-12-6-8-16(30-12)22(27)28/h5-10H,1-4H2,(H,19,23)(H,20,24)/b17-9+,18-10+
InChIKey
XHVHAUDSRGRPKH-BEQMOXJMSA-N
Compound name
N,N'-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]hexanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.10297 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.11025 195.4
[M+Na]+ 443.09219 200.8
[M+NH4]+ 438.13679 203.8
[M+K]+ 459.06613 209.6
[M-H]- 419.09569 192.4
[M+Na-2H]- 441.07764 192.1
[M]+ 420.10242 197.4
[M]- 420.10352 197.4
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.