CID 468158

Amino-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)amide

Structural Information

Molecular Formula
C20H41N3O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OCC1C2(C([C@H](O1)NC(=O)N)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C20H41N3O7SSi2/c1-18(2,3)32(7,8)27-11-14-20(13(21)12-31(25,26)30-20)15(16(28-14)23-17(22)24)29-33(9,10)19(4,5)6/h12,14-16H,11,21H2,1-10H3,(H3,22,23,24)/t14?,15?,16-,20?/m0/s1
InChIKey
SDGOUOYSBYZXKI-ZDHUNYLQSA-N
Compound name
[(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]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

523.2204 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.22768 209.3
[M+Na]+ 546.20962 212.2
[M-H]- 522.21312 213.9
[M+NH4]+ 541.25422 221.0
[M+K]+ 562.18356 214.8
[M+H-H2O]+ 506.21766 208.7
[M+HCOO]- 568.21860 217.5
[M+CH3COO]- 582.23425 243.5
[M+Na-2H]- 544.19507 216.3
[M]+ 523.21985 215.9
[M]- 523.22095 215.9
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.