CID 16684717

114847-40-4

Structural Information

Molecular Formula
C19H29GeN3O6
SMILES
CC1(C(=O)N(C(=O)N(C1=O)C[Ge]23OCCN(CCO2)CCO3)C)C4=CCCCC4
InChI
InChI=1S/C19H29GeN3O6/c1-19(15-6-4-3-5-7-15)16(24)21(2)18(26)23(17(19)25)14-20-27-11-8-22(9-12-28-20)10-13-29-20/h6H,3-5,7-14H2,1-2H3
InChIKey
MJBABGXZLOPZMG-UHFFFAOYSA-N
Compound name
5-(cyclohexen-1-yl)-1,5-dimethyl-3-(2,8,9-trioxa-5-aza-1-germabicyclo[3.3.3]undecan-1-ylmethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.1268 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.13408 115.3
[M+Na]+ 492.11602 115.4
[M-H]- 468.11952 115.3
[M+NH4]+ 487.16062 115.3
[M+K]+ 508.08996 115.4
[M+H-H2O]+ 452.12406 115.2
[M+HCOO]- 514.12500 115.3
[M+CH3COO]- 528.14065 115.2
[M+Na-2H]- 490.10147 115.1
[M]+ 469.12625 115.3
[M]- 469.12735 115.3
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.