CID 24840883

Pm 508

Structural Information

Molecular Formula
C21H33N5O5
SMILES
CCCCCCCCN1CCN(CC1)CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C21H33N5O5/c1-2-3-4-5-6-7-10-23-11-13-24(14-12-23)16-19-17-25(21(27)31-19)22-15-18-8-9-20(30-18)26(28)29/h8-9,15,19H,2-7,10-14,16-17H2,1H3/b22-15+
InChIKey
BGGYEPNWJVTEFF-PXLXIMEGSA-N
Compound name
3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-[(4-octylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.24817 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.25545 209.5
[M+Na]+ 458.23739 210.0
[M-H]- 434.24089 216.3
[M+NH4]+ 453.28199 214.5
[M+K]+ 474.21133 204.3
[M+H-H2O]+ 418.24543 203.1
[M+HCOO]- 480.24637 225.4
[M+CH3COO]- 494.26202 226.7
[M+Na-2H]- 456.22284 208.2
[M]+ 435.24762 208.9
[M]- 435.24872 208.9
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.