CID 9578623

3-(((2-(4-methyl-1-piperazinyl)-5-nitrophenyl)methylene)amino)-2-oxazolidinone hcl hydrate

Structural Information

Molecular Formula
C15H19N5O4
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=N/N3CCOC3=O
InChI
InChI=1S/C15H19N5O4/c1-17-4-6-18(7-5-17)14-3-2-13(20(22)23)10-12(14)11-16-19-8-9-24-15(19)21/h2-3,10-11H,4-9H2,1H3/b16-11+
InChIKey
OUPSTMNPXPSWSN-LFIBNONCSA-N
Compound name
3-[(E)-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]methylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1437 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.15098 177.5
[M+Na]+ 356.13292 181.2
[M-H]- 332.13642 184.6
[M+NH4]+ 351.17752 186.3
[M+K]+ 372.10686 174.9
[M+H-H2O]+ 316.14096 170.9
[M+HCOO]- 378.14190 195.6
[M+CH3COO]- 392.15755 206.4
[M+Na-2H]- 354.11837 180.8
[M]+ 333.14315 172.4
[M]- 333.14425 172.4
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.