CID 9554032

2-oxazolidinone, 5-((4-ethyl-1-piperazinyl)methyl)-3-((5-nitro-2-furfurylidene)amino)-

Structural Information

Molecular Formula
C15H21N5O5
SMILES
CCN1CCN(CC1)CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C15H21N5O5/c1-2-17-5-7-18(8-6-17)10-13-11-19(15(21)25-13)16-9-12-3-4-14(24-12)20(22)23/h3-4,9,13H,2,5-8,10-11H2,1H3/b16-9+
InChIKey
STHNBKLGORPDEO-CXUHLZMHSA-N
Compound name
5-[(4-ethylpiperazin-1-yl)methyl]-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.15427 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.161546 182.6
[M+Na]+ 374.143488 185.9
[M-H]- 350.146994 190.6
[M+NH4]+ 369.188093 191.1
[M+K]+ 390.117428 181.4
[M+H-H2O]+ 334.151530 177.3
[M+HCOO]- 396.152471 200.6
[M+CH3COO]- 410.168121 209.1
[M+Na-2H]- 372.128936 184.3
[M]+ 351.15372142 180.1
[M]- 351.15481858 180.1
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.