CID 468156

N-(9-amino-3,6-dioxa-7,7-dioxo-1-(1,1,2,2-tetramethyl-1-silapropoxy)-4-((1,1,2,2-tetramethyl-1-silapropoxy)methyl)-7-thiaspiro[4.4]non-8-en-2-yl)ethanamide

Structural Information

Molecular Formula
C21H42N2O7SSi2
SMILES
CC(=O)N[C@@H]1C(C2(C(O1)CO[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C21H42N2O7SSi2/c1-14(24)23-18-17(29-33(10,11)20(5,6)7)21(15(22)13-31(25,26)30-21)16(28-18)12-27-32(8,9)19(2,3)4/h13,16-18H,12,22H2,1-11H3,(H,23,24)/t16?,17?,18-,21?/m0/s1
InChIKey
DUALXMKAKCTPFU-GEUNIFFNSA-N
Compound name
N-[(8S)-4-amino-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-8-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

522.2251 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 523.23238 209.8
[M+Na]+ 545.21432 213.4
[M-H]- 521.21782 215.1
[M+NH4]+ 540.25892 222.4
[M+K]+ 561.18826 216.0
[M+H-H2O]+ 505.22236 209.7
[M+HCOO]- 567.22330 217.5
[M+CH3COO]- 581.23895 241.3
[M+Na-2H]- 543.19977 216.4
[M]+ 522.22455 218.6
[M]- 522.22565 218.6
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.