CID 9554105

Pm 363

Structural Information

Molecular Formula
C15H19N5O5
SMILES
C=CCN1CCN(CC1)C2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C15H19N5O5/c1-2-5-17-6-8-18(9-7-17)14-11-19(15(21)25-14)16-10-12-3-4-13(24-12)20(22)23/h2-4,10,14H,1,5-9,11H2/b16-10+
InChIKey
YMXBDJBEODJZKM-MHWRWJLKSA-N
Compound name
3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-(4-prop-2-enylpiperazin-1-yl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.1386 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.14588 182.1
[M+Na]+ 372.12782 185.7
[M-H]- 348.13132 190.1
[M+NH4]+ 367.17242 190.6
[M+K]+ 388.10176 180.6
[M+H-H2O]+ 332.13586 176.9
[M+HCOO]- 394.13680 200.3
[M+CH3COO]- 408.15245 208.3
[M+Na-2H]- 370.11327 183.7
[M]+ 349.13805 178.9
[M]- 349.13915 178.9
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.