CID 41841

Satranidazole

Structural Information

Molecular Formula

C₈H₁₁N₅O₅S

SMILES

CN1C(=CN=C1N2CCN(C2=O)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C8H11N5O5S/c1-10-6(13(15)16)5-9-7(10)11-3-4-12(8(11)14)19(2,17)18/h5H,3-4H2,1-2H3

InChIKey

FNSHYEAUAUHIMB-UHFFFAOYSA-N

Compound name

1-(1-methyl-5-nitroimidazol-2-yl)-3-methylsulfonylimidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 25
References: 181
Patents: 289.0481 Da
Monoisotopic Mass: -0.8
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]+	290.05538	162.1
[M+Na]+	312.03732	171.4
[M-H]-	288.04082	165.7
[M+NH4]+	307.08192	175.7
[M+K]+	328.01126	165.3
[M+H-H2O]+	272.04536	159.8
[M+HCOO]-	334.04630	177.4
[M+CH3COO]-	348.06195	189.7
[M+Na-2H]-	310.02277	164.8
[M]+	289.04755	162.7
[M]-	289.04865	162.7

Literature stripe

literature stripe

Patent stripe

patents stripe