CID 16684684

2,2-bis(3-methylbutyl)-3-leucyl-1,3,2-thiazagermolidine hydrobromide

Structural Information

Molecular Formula
C18H38GeN2OS
SMILES
CC(C)CC[Ge]1(N(CCS1)C(=O)C(CC(C)C)N)CCC(C)C
InChI
InChI=1S/C18H38GeN2OS/c1-14(2)7-9-19(10-8-15(3)4)21(11-12-23-19)18(22)17(20)13-16(5)6/h14-17H,7-13,20H2,1-6H3
InChIKey
CPESDIHOLCGKDA-UHFFFAOYSA-N
Compound name
2-amino-1-[2,2-bis(3-methylbutyl)-1,3,2-thiazagermolidin-3-yl]-4-methylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.19165 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19893 200.1
[M+Na]+ 427.18087 200.6
[M-H]- 403.18437 199.5
[M+NH4]+ 422.22547 215.2
[M+K]+ 443.15481 198.2
[M+H-H2O]+ 387.18891 193.4
[M+HCOO]- 449.18985 207.5
[M+CH3COO]- 463.20550 220.0
[M+Na-2H]- 425.16632 189.9
[M]+ 404.19110 200.9
[M]- 404.19220 200.9
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.