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

59
Patents

144.07211 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.07939 131.2
[M+Na]+ 167.06133 138.8
[M-H]- 143.06483 130.8
[M+NH4]+ 162.10593 151.9
[M+K]+ 183.03527 136.6
[M+H-H2O]+ 127.06937 125.3
[M+HCOO]- 189.07031 144.4
[M+CH3COO]- 203.08596 170.8
[M+Na-2H]- 165.04678 130.5
[M]+ 144.07156 128.4
[M]- 144.07266 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe