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 175.3
[M+Na]+ 347.14382 180.8
[M-H]- 323.14732 182.1
[M+NH4]+ 342.18842 187.5
[M+K]+ 363.11776 176.8
[M+H-H2O]+ 307.15186 170.3
[M+HCOO]- 369.15280 199.4
[M+CH3COO]- 383.16845 211.6
[M+Na-2H]- 345.12927 178.5
[M]+ 324.15405 177.3
[M]- 324.15515 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.