CID 16684630

1-(1-benzimidazolyl)methylgermatrane

Structural Information

Molecular Formula
C14H19GeN3O3
SMILES
C1CO[Ge]2(OCCN1CCO2)CN3C=NC4=CC=CC=C43
InChI
InChI=1S/C14H19GeN3O3/c1-2-4-14-13(3-1)16-12-18(14)11-15-19-8-5-17(6-9-20-15)7-10-21-15/h1-4,12H,5-11H2
InChIKey
VKIBTCPBVJKGJW-UHFFFAOYSA-N
Compound name
1-(benzimidazol-1-ylmethyl)-2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.0638 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.07108 114.9
[M+Na]+ 374.05302 115.0
[M-H]- 350.05652 114.9
[M+NH4]+ 369.09762 114.9
[M+K]+ 390.02696 115.0
[M+H-H2O]+ 334.06106 114.8
[M+HCOO]- 396.06200 114.9
[M+CH3COO]- 410.07765 114.8
[M+Na-2H]- 372.03847 114.7
[M]+ 351.06325 114.9
[M]- 351.06435 114.9
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.