CID 9588424

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

Structural Information

Molecular Formula
C18H20N6O8
SMILES
C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)CCCCCCC(=O)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C18H20N6O8/c25-15(21-19-11-13-7-9-17(31-13)23(27)28)5-3-1-2-4-6-16(26)22-20-12-14-8-10-18(32-14)24(29)30/h7-12H,1-6H2,(H,21,25)(H,22,26)/b19-11+,20-12+
InChIKey
WNXMVSGYQSXPCQ-AYKLPDECSA-N
Compound name
N,N'-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]octanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.13425 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.14153 208.0
[M+Na]+ 471.12347 207.3
[M-H]- 447.12697 217.6
[M+NH4]+ 466.16807 244.9
[M+K]+ 487.09741 199.8
[M+H-H2O]+ 431.13151 206.1
[M+HCOO]- 493.13245 253.9
[M+CH3COO]- 507.14810 227.1
[M+Na-2H]- 469.10892 215.7
[M]+ 448.13370 210.1
[M]- 448.13480 210.1
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.