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 171.5
[M+Na]+ 344.12170 178.4
[M-H]- 320.12520 179.2
[M+NH4]+ 339.16630 186.7
[M+K]+ 360.09564 173.1
[M+H-H2O]+ 304.12974 169.2
[M+HCOO]- 366.13068 194.3
[M+CH3COO]- 380.14633 206.0
[M+Na-2H]- 342.10715 175.9
[M]+ 321.13193 172.6
[M]- 321.13303 172.6
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.