CID 9578712

39844-63-8

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]+ 322.139756 171.5
[M+Na]+ 344.121698 178.4
[M-H]- 320.125204 179.2
[M+NH4]+ 339.166303 186.7
[M+K]+ 360.095638 173.1
[M+H-H2O]+ 304.129740 169.2
[M+HCOO]- 366.130681 194.3
[M+CH3COO]- 380.146331 206.0
[M+Na-2H]- 342.107146 175.9
[M]+ 321.13193142 172.6
[M]- 321.13302858 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.