CID 468169

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)(phenylcarbonylamino)formamide

Structural Information

Molecular Formula
C27H45N3O8SSi2
SMILES
CC(C)(C)[Si](C)(C)OCC1C2(C([C@H](O1)NC(=O)NC(=O)C3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C27H45N3O8SSi2/c1-25(2,3)40(7,8)35-16-20-27(19(28)17-39(33,34)38-27)21(37-41(9,10)26(4,5)6)23(36-20)30-24(32)29-22(31)18-14-12-11-13-15-18/h11-15,17,20-21,23H,16,28H2,1-10H3,(H2,29,30,31,32)/t20?,21?,23-,27?/m0/s1
InChIKey
AYIUTSVQZSFZHT-SAEFYSHRSA-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]carbamoyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

627.2466 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 628.25388 234.9
[M+Na]+ 650.23582 235.8
[M-H]- 626.23932 242.7
[M+NH4]+ 645.28042 242.1
[M+K]+ 666.20976 239.1
[M+H-H2O]+ 610.24386 232.8
[M+HCOO]- 672.24480 242.4
[M+CH3COO]- 686.26045 261.0
[M+Na-2H]- 648.22127 241.8
[M]+ 627.24605 242.6
[M]- 627.24715 242.6
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.