CID 168863

Einecs 249-476-3

Structural Information

Molecular Formula
C24H48N4O12Si3
SMILES
C1CO[Si]2(OCCN1CCO2)OCCN(CCO[Si]34OCCN(CCO3)CCO4)CCO[Si]56OCCN(CCO5)CCO6
InChI
InChI=1S/C24H48N4O12Si3/c1-13-29-41(30-14-2-25(1)3-15-31-41)38-22-10-28(11-23-39-42-32-16-4-26(5-17-33-42)6-18-34-42)12-24-40-43-35-19-7-27(8-20-36-43)9-21-37-43/h1-24H2
InChIKey
FOBGJHFRTCZWAF-UHFFFAOYSA-N
Compound name
2-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yloxy)-N,N-bis[2-(2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yloxy)ethyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

668.2576 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 669.26488 311.5
[M+Na]+ 691.24682 311.5
[M-H]- 667.25032 311.5
[M+NH4]+ 686.29142 311.5
[M+K]+ 707.22076 311.5
[M+H-H2O]+ 651.25486 311.5
[M+HCOO]- 713.25580 311.5
[M+CH3COO]- 727.27145 311.5
[M+Na-2H]- 689.23227 311.5
[M]+ 668.25705 311.5
[M]- 668.25815 311.5
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.