CID 9578456

2-oxazolidinone, 5-(diethylamino)methyl-3-(1-methyl-5-nitroimidazol-2-ylmethyleneamino)-, hydrochloride

Structural Information

Molecular Formula
C13H20N6O4
SMILES
CCN(CC)CC1CN(C(=O)O1)/N=C/C2=NC=C(N2C)[N+](=O)[O-]
InChI
InChI=1S/C13H20N6O4/c1-4-17(5-2)8-10-9-18(13(20)23-10)15-6-11-14-7-12(16(11)3)19(21)22/h6-7,10H,4-5,8-9H2,1-3H3/b15-6+
InChIKey
UXWOGPZAAQWEPQ-GIDUJCDVSA-N
Compound name
5-(diethylaminomethyl)-3-[(E)-(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1546 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.161876 175.3
[M+Na]+ 347.143818 180.8
[M-H]- 323.147324 182.1
[M+NH4]+ 342.188423 187.5
[M+K]+ 363.117758 176.8
[M+H-H2O]+ 307.151860 170.3
[M+HCOO]- 369.152801 199.4
[M+CH3COO]- 383.168451 211.6
[M+Na-2H]- 345.129266 178.5
[M]+ 324.15405142 177.3
[M]- 324.15514858 177.3
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.