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 198.7
[M+Na]+ 443.09219 198.9
[M-H]- 419.09569 208.6
[M+NH4]+ 438.13679 237.9
[M+K]+ 459.06613 191.8
[M+H-H2O]+ 403.10023 197.2
[M+HCOO]- 465.10117 247.6
[M+CH3COO]- 479.11682 221.5
[M+Na-2H]- 441.07764 207.3
[M]+ 420.10242 200.2
[M]- 420.10352 200.2
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.