CID 3276

Etanidazole

Structural Information

Molecular Formula

C₇H₁₀N₄O₄

SMILES

C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCCO

InChI

InChI=1S/C7H10N4O4/c12-4-2-8-6(13)5-10-3-1-9-7(10)11(14)15/h1,3,12H,2,4-5H2,(H,8,13)

InChIKey

WCDWBPCFGJXFJZ-UHFFFAOYSA-N

Compound name

N-(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 343
References: 22828
Patents: 214.0702 Da
Monoisotopic Mass: -1.3
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]+	215.07748	142.3
[M+Na]+	237.05942	150.9
[M+NH4]+	232.10402	147.1
[M+K]+	253.03336	152.5
[M-H]-	213.06292	141.7
[M+Na-2H]-	235.04487	145.1
[M]+	214.06965	142.6
[M]-	214.07075	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe