CID 9578456

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

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]+ 325.16188 172.9
[M+Na]+ 347.14382 181.0
[M+NH4]+ 342.18842 176.8
[M+K]+ 363.11776 184.2
[M-H]- 323.14732 176.0
[M+Na-2H]- 345.12927 174.8
[M]+ 324.15405 174.2
[M]- 324.15515 174.2
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.