CID 16684690

3-glycyl-2-methyl-2-phenyl-1,3,2-thiazagermolidine hydrobromide

Structural Information

Molecular Formula
C11H16GeN2OS
SMILES
C[Ge]1(N(CCS1)C(=O)CN)C2=CC=CC=C2
InChI
InChI=1S/C11H16GeN2OS/c1-12(10-5-3-2-4-6-10)14(7-8-16-12)11(15)9-13/h2-6H,7-9,13H2,1H3
InChIKey
YRTJEGKZOBMUMM-UHFFFAOYSA-N
Compound name
2-amino-1-(2-methyl-2-phenyl-1,3,2-thiazagermolidin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0195 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.02678 163.6
[M+Na]+ 321.00872 170.1
[M-H]- 297.01222 168.0
[M+NH4]+ 316.05332 183.1
[M+K]+ 336.98266 166.3
[M+H-H2O]+ 281.01676 156.6
[M+HCOO]- 343.01770 179.4
[M+CH3COO]- 357.03335 191.3
[M+Na-2H]- 318.99417 163.2
[M]+ 298.01895 162.0
[M]- 298.02005 162.0
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.