CID 468171

(3r)-n3-(anilinosulfanylmethyl)-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-ene-3,6-diamine

Structural Information

Molecular Formula
C26H47N3O6S2Si2
SMILES
CC(C)(C)[Si](C)(C)OCC1C2(C([C@@H](O1)NCSNC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C26H47N3O6S2Si2/c1-24(2,3)38(7,8)32-16-21-26(20(27)17-37(30,31)35-26)22(34-39(9,10)25(4,5)6)23(33-21)28-18-36-29-19-14-12-11-13-15-19/h11-15,17,21-23,28-29H,16,18,27H2,1-10H3/t21?,22?,23-,26?/m1/s1
InChIKey
YXNKKCDATNQGNS-YQHAQTLASA-N
Compound name
(8R)-8-N-(anilinosulfanylmethyl)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-ene-4,8-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

617.2445 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 618.25178 234.0
[M+Na]+ 640.23372 235.5
[M-H]- 616.23722 240.5
[M+NH4]+ 635.27832 242.1
[M+K]+ 656.20766 235.8
[M+H-H2O]+ 600.24176 231.2
[M+HCOO]- 662.24270 238.4
[M+CH3COO]- 676.25835 258.2
[M+Na-2H]- 638.21917 241.9
[M]+ 617.24395 242.0
[M]- 617.24505 242.0
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.