CID 3037213

Mipimazole

Structural Information

Molecular Formula

C₆H₁₂N₂S

SMILES

CC(C)N1CCNC1=S

InChI

InChI=1S/C6H12N2S/c1-5(2)8-4-3-7-6(8)9/h5H,3-4H2,1-2H3,(H,7,9)

InChIKey

GQEHSBNMBDRPNR-UHFFFAOYSA-N

Compound name

1-propan-2-ylimidazolidine-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 144.07211 Da
Monoisotopic Mass: 0.7
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]+	145.07939	132.5
[M+Na]+	167.06133	141.7
[M+NH4]+	162.10593	140.6
[M+K]+	183.03527	136.4
[M-H]-	143.06483	132.3
[M+Na-2H]-	165.04678	134.9
[M]+	144.07156	133.9
[M]-	144.07266	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe