CID 9554102

94374-28-4

Structural Information

Molecular Formula
C16H23N5O5
SMILES
CCCN1CCN(CC1)CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C16H23N5O5/c1-2-5-18-6-8-19(9-7-18)11-14-12-20(16(22)26-14)17-10-13-3-4-15(25-13)21(23)24/h3-4,10,14H,2,5-9,11-12H2,1H3/b17-10+
InChIKey
UCHOHCWALJZGQW-LICLKQGHSA-N
Compound name
3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-[(4-propylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16992 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.177196 187.1
[M+Na]+ 388.159138 189.9
[M-H]- 364.162644 194.9
[M+NH4]+ 383.203743 195.1
[M+K]+ 404.133078 185.3
[M+H-H2O]+ 348.167180 181.7
[M+HCOO]- 410.168121 204.8
[M+CH3COO]- 424.183771 212.0
[M+Na-2H]- 386.144586 188.3
[M]+ 365.16937142 185.0
[M]- 365.17046858 185.0
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.