CID 9554102

Pm 365

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]+ 366.17720 187.1
[M+Na]+ 388.15914 189.9
[M-H]- 364.16264 194.9
[M+NH4]+ 383.20374 195.1
[M+K]+ 404.13308 185.3
[M+H-H2O]+ 348.16718 181.7
[M+HCOO]- 410.16812 204.8
[M+CH3COO]- 424.18377 212.0
[M+Na-2H]- 386.14459 188.3
[M]+ 365.16937 185.0
[M]- 365.17047 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.