CID 468167

N-(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)carbamoyl)-2-methylprop-2-enamide

Structural Information

Molecular Formula
C24H45N3O8SSi2
SMILES
CC(=C)C(=O)NC(=O)NC1C(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/C24H45N3O8SSi2/c1-15(2)19(28)26-21(29)27-20-18(34-38(11,12)23(6,7)8)24(16(25)14-36(30,31)35-24)17(33-20)13-32-37(9,10)22(3,4)5/h14,17-18,20H,1,13,25H2,2-12H3,(H2,26,27,28,29)
InChIKey
AASZANIUPLUFBR-UHFFFAOYSA-N
Compound name
N-[[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]carbamoyl]-2-methylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

591.2466 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 592.25388 223.7
[M+Na]+ 614.23582 224.5
[M-H]- 590.23932 228.2
[M+NH4]+ 609.28042 232.7
[M+K]+ 630.20976 228.0
[M+H-H2O]+ 574.24386 223.7
[M+HCOO]- 636.24480 229.9
[M+CH3COO]- 650.26045 256.3
[M+Na-2H]- 612.22127 229.5
[M]+ 591.24605 231.4
[M]- 591.24715 231.4
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.