CID 9570504

5-nitro-2-furaldehyde (dibutylaminoacetyl)hydrazone

Structural Information

Molecular Formula
C15H24N4O4
SMILES
CCCCN(CCCC)CC(=O)N/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C15H24N4O4/c1-3-5-9-18(10-6-4-2)12-14(20)17-16-11-13-7-8-15(23-13)19(21)22/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,17,20)/b16-11+
InChIKey
CBUUEQJKUQEIID-LFIBNONCSA-N
Compound name
2-(dibutylamino)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.17975 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.18703 180.8
[M+Na]+ 347.16897 183.0
[M-H]- 323.17247 186.6
[M+NH4]+ 342.21357 194.5
[M+K]+ 363.14291 179.3
[M+H-H2O]+ 307.17701 176.5
[M+HCOO]- 369.17795 208.7
[M+CH3COO]- 383.19360 214.3
[M+Na-2H]- 345.15442 184.8
[M]+ 324.17920 184.2
[M]- 324.18030 184.2
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.