CID 468162

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)(phenylamino)formamide

Structural Information

Molecular Formula
C26H45N3O7SSi2
SMILES
CC(C)(C)[Si](C)(C)OCC1C2(C([C@@H](O1)NC(=O)NC3=CC=CC=C3)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C26H45N3O7SSi2/c1-24(2,3)38(7,8)33-16-20-26(19(27)17-37(31,32)36-26)21(35-39(9,10)25(4,5)6)22(34-20)29-23(30)28-18-14-12-11-13-15-18/h11-15,17,20-22H,16,27H2,1-10H3,(H2,28,29,30)/t20?,21?,22-,26?/m1/s1
InChIKey
PQWSKILKAIAIKF-IIRGZPFHSA-N
Compound name
1-[(8R)-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]-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

599.25165 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.25893 230.3
[M+Na]+ 622.24087 232.1
[M-H]- 598.24437 238.3
[M+NH4]+ 617.28547 238.9
[M+K]+ 638.21481 234.5
[M+H-H2O]+ 582.24891 227.9
[M+HCOO]- 644.24985 238.7
[M+CH3COO]- 658.26550 256.5
[M+Na-2H]- 620.22632 237.5
[M]+ 599.25110 237.6
[M]- 599.25220 237.6
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.