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

2
Annotation Hits: 0
References: 49
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]+	145.079386	131.2
[M+Na]+	167.061328	138.8
[M-H]-	143.064834	130.8
[M+NH4]+	162.105933	151.9
[M+K]+	183.035268	136.6
[M+H-H2O]+	127.069370	125.3
[M+HCOO]-	189.070311	144.4
[M+CH3COO]-	203.085961	170.8
[M+Na-2H]-	165.046776	130.5
[M]+	144.07156142	128.4
[M]-	144.07265858	128.4

Literature stripe

literature stripe

Patent stripe

patents stripe