CID 9578712

Brn 1506940

Structural Information

Molecular Formula
C15H19N3O5
SMILES
CCC1(C(=O)C(CN(C1=O)/N=C/C2=CC=C(O2)[N+](=O)[O-])C)CC
InChI
InChI=1S/C15H19N3O5/c1-4-15(5-2)13(19)10(3)9-17(14(15)20)16-8-11-6-7-12(23-11)18(21)22/h6-8,10H,4-5,9H2,1-3H3/b16-8+
InChIKey
WLCGHXGGNVKGOR-LZYBPNLTSA-N
Compound name
3,3-diethyl-5-methyl-1-[(E)-(5-nitrofuran-2-yl)methylideneamino]piperidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.13248 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13976 172.8
[M+Na]+ 344.12170 183.2
[M+NH4]+ 339.16630 179.2
[M+K]+ 360.09564 181.0
[M-H]- 320.12520 176.8
[M+Na-2H]- 342.10715 176.7
[M]+ 321.13193 175.1
[M]- 321.13303 175.1
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.