CID 9983798

69304-45-6

Structural Information

Molecular Formula
C22H39N5O5Si2
SMILES
CC(C)[Si]1(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C22H39N5O5Si2/c1-12(2)33(13(3)4)29-9-16-19(31-34(32-33,14(5)6)15(7)8)18(28)22(30-16)27-11-26-17-20(23)24-10-25-21(17)27/h10-16,18-19,22,28H,9H2,1-8H3,(H2,23,24,25)/t16-,18-,19-,22-/m1/s1
InChIKey
KHVLHRYSOPSVJR-WGQQHEPDSA-N
Compound name
(6aR,8R,9R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

509.24896 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.25624 218.7
[M+Na]+ 532.23818 220.7
[M+NH4]+ 527.28278 219.8
[M+K]+ 548.21212 218.6
[M-H]- 508.24168 219.6
[M+Na-2H]- 530.22363 215.7
[M]+ 509.24841 219.2
[M]- 509.24951 219.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe