CID 3032998

Carnidazole

Structural Information

Molecular Formula

C₈H₁₂N₄O₃S

SMILES

CC1=NC=C(N1CCNC(=S)OC)[N+](=O)[O-]

InChI

InChI=1S/C8H12N4O3S/c1-6-10-5-7(12(13)14)11(6)4-3-9-8(16)15-2/h5H,3-4H2,1-2H3,(H,9,16)

InChIKey

OVEVHVURWWTPFC-UHFFFAOYSA-N

Compound name

O-methyl N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]carbamothioate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 13
References: 437
Patents: 244.06302 Da
Monoisotopic Mass: 1.1
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]+	245.07030	150.8
[M+Na]+	267.05224	159.9
[M+NH4]+	262.09684	156.6
[M+K]+	283.02618	158.5
[M-H]-	243.05574	151.4
[M+Na-2H]-	265.03769	153.3
[M]+	244.06247	152.1
[M]-	244.06357	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe