CID 469018

3-benzyloxy-4-[tert-butyl(dimethyl)silyl]oxy-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-8,8-dioxo-2,9-dioxa-8$l^{6}-thiaspiro[4.4]non-6-en-6-amine

Structural Information

Molecular Formula
C26H45NO7SSi2
SMILES
CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)OCC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C26H45NO7SSi2/c1-24(2,3)36(7,8)31-17-21-26(20(27)18-35(28,29)34-26)22(33-37(9,10)25(4,5)6)23(32-21)30-16-19-14-12-11-13-15-19/h11-15,18,21-23H,16-17,27H2,1-10H3
InChIKey
PHESCLMCWLBGMY-UHFFFAOYSA-N
Compound name
9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-8-phenylmethoxy-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

571.24554 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 572.25282 226.1
[M+Na]+ 594.23476 230.1
[M-H]- 570.23826 234.6
[M+NH4]+ 589.27936 236.9
[M+K]+ 610.20870 232.0
[M+H-H2O]+ 554.24280 224.0
[M+HCOO]- 616.24374 233.7
[M+CH3COO]- 630.25939 246.9
[M+Na-2H]- 592.22021 231.8
[M]+ 571.24499 236.4
[M]- 571.24609 236.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.