CID 11213899

69304-42-3

Structural Information

Molecular Formula
C21H39N3O6Si2
SMILES
CC(C)[Si]1(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)O)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C21H39N3O6Si2/c1-12(2)31(13(3)4)27-11-16-19(29-32(30-31,14(5)6)15(7)8)18(25)20(28-16)24-10-9-17(22)23-21(24)26/h9-10,12-16,18-20,25H,11H2,1-8H3,(H2,22,23,26)/t16-,18-,19-,20-/m1/s1
InChIKey
KPNSXQNKDQMBAW-VBSBHUPXSA-N
Compound name
1-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-aminopyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

485.23773 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.24501 212.7
[M+Na]+ 508.22695 214.5
[M+NH4]+ 503.27155 213.8
[M+K]+ 524.20089 212.2
[M-H]- 484.23045 213.7
[M+Na-2H]- 506.21240 210.1
[M]+ 485.23718 213.2
[M]- 485.23828 213.2
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

patents stripe