CID 9571039

Moxnidazole

Structural Information

Molecular Formula
C13H18N6O5
SMILES
CN1C(=CN=C1/C=N/N2CC(OC2=O)CN3CCOCC3)[N+](=O)[O-]
InChI
InChI=1S/C13H18N6O5/c1-16-11(14-7-12(16)19(21)22)6-15-18-9-10(24-13(18)20)8-17-2-4-23-5-3-17/h6-7,10H,2-5,8-9H2,1H3/b15-6+
InChIKey
RILWUTQZRXWBOB-GIDUJCDVSA-N
Compound name
3-[(E)-(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-5-(morpholin-4-ylmethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

296
Patents

338.13388 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.141156 177.4
[M+Na]+ 361.123098 181.5
[M-H]- 337.126604 184.5
[M+NH4]+ 356.167703 185.1
[M+K]+ 377.097038 177.2
[M+H-H2O]+ 321.131140 171.5
[M+HCOO]- 383.132081 194.7
[M+CH3COO]- 397.147731 206.1
[M+Na-2H]- 359.108546 179.9
[M]+ 338.13333142 174.6
[M]- 338.13442858 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe