CID 9554032

Pm 351

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]+ 352.16155 182.6
[M+Na]+ 374.14349 185.9
[M-H]- 350.14699 190.6
[M+NH4]+ 369.18809 191.1
[M+K]+ 390.11743 181.4
[M+H-H2O]+ 334.15153 177.3
[M+HCOO]- 396.15247 200.6
[M+CH3COO]- 410.16812 209.1
[M+Na-2H]- 372.12894 184.3
[M]+ 351.15372 180.1
[M]- 351.15482 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.