CID 11644726

Morinidazole

Structural Information

Molecular Formula

C₁₁H₁₈N₄O₄

SMILES

CC1=NC=C(N1CC(CN2CCOCC2)O)[N+](=O)[O-]

InChI

InChI=1S/C11H18N4O4/c1-9-12-6-11(15(17)18)14(9)8-10(16)7-13-2-4-19-5-3-13/h6,10,16H,2-5,7-8H2,1H3

InChIKey

GAZGHCHCYRSPIV-UHFFFAOYSA-N

Compound name

1-(2-methyl-5-nitroimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 53
Patents: 270.1328 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	271.14008	158.9
[M+Na]+	293.12202	168.6
[M+NH4]+	288.16662	163.9
[M+K]+	309.09596	169.9
[M-H]-	269.12552	161.0
[M+Na-2H]-	291.10747	161.4
[M]+	270.13225	160.3
[M]-	270.13335	160.3

Literature stripe

literature stripe

Patent stripe

patents stripe