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 178.9
[M+Na]+ 422.17580 181.6
[M-H]- 398.17930 182.4
[M+NH4]+ 417.22040 182.7
[M+K]+ 438.14974 182.0
[M+H-H2O]+ 382.18384 173.0
[M+HCOO]- 444.18478 184.8
[M+CH3COO]- 458.20043 237.1
[M+Na-2H]- 420.16125 177.1
[M]+ 399.18603 178.5
[M]- 399.18713 178.5
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.