CID 42801

Brn 5989082

Structural Information

Molecular Formula
C22H29NO4Si
SMILES
C[Si]1(OCCN(CCO1)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)C
InChI
InChI=1S/C22H29NO4Si/c1-28(2)26-17-14-23(15-18-27-28)13-16-25-22(24)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21H,13-18H2,1-2H3
InChIKey
XNZQSIJTBPUZMS-UHFFFAOYSA-N
Compound name
2-(2,2-dimethyl-1,3,6,2-dioxazasilocan-6-yl)ethyl 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.18658 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.19386 182.6
[M+Na]+ 422.17580 186.3
[M+NH4]+ 417.22040 184.8
[M+K]+ 438.14974 183.7
[M-H]- 398.17930 184.7
[M+Na-2H]- 420.16125 184.7
[M]+ 399.18603 183.7
[M]- 399.18713 183.7
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.