CID 16684692

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

Structural Information

Molecular Formula
C17H36GeN2OS
SMILES
CC(C)CC[Ge]1(N(CCS1)C(=O)C(C(C)C)N)CCC(C)C
InChI
InChI=1S/C17H36GeN2OS/c1-13(2)7-9-18(10-8-14(3)4)20(11-12-22-18)17(21)16(19)15(5)6/h13-16H,7-12,19H2,1-6H3
InChIKey
ICWNJCTYRCWLHO-UHFFFAOYSA-N
Compound name
2-amino-1-[2,2-bis(3-methylbutyl)-1,3,2-thiazagermolidin-3-yl]-3-methylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.17603 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.18331 195.8
[M+Na]+ 413.16525 196.7
[M-H]- 389.16875 195.4
[M+NH4]+ 408.20985 211.5
[M+K]+ 429.13919 194.6
[M+H-H2O]+ 373.17329 189.3
[M+HCOO]- 435.17423 203.6
[M+CH3COO]- 449.18988 217.1
[M+Na-2H]- 411.15070 186.1
[M]+ 390.17548 196.3
[M]- 390.17658 196.3
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.