CID 16684682

3-acetyl-2,5-dimethyl-2-phenyl-1,3,2-thiazagermolidine

Structural Information

Molecular Formula
C12H17GeNOS
SMILES
CC1CN([Ge](S1)(C)C2=CC=CC=C2)C(=O)C
InChI
InChI=1S/C12H17GeNOS/c1-10-9-14(11(2)15)13(3,16-10)12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3
InChIKey
DMQANJULAGJRTO-UHFFFAOYSA-N
Compound name
1-(2,5-dimethyl-2-phenyl-1,3,2-thiazagermolidin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.02426 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.03154 163.3
[M+Na]+ 320.01348 171.1
[M-H]- 296.01698 168.6
[M+NH4]+ 315.05808 183.8
[M+K]+ 335.98742 167.7
[M+H-H2O]+ 280.02152 156.7
[M+HCOO]- 342.02246 178.4
[M+CH3COO]- 356.03811 191.2
[M+Na-2H]- 317.99893 162.0
[M]+ 297.02371 164.1
[M]- 297.02481 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.