CID 495802

Nsc668823

Structural Information

Molecular Formula
C28H55N5O4Si3
SMILES
CC(C)(C)[Si](C)(C)OC[C@H]1[C@@H]([C@@H]([C@H](O1)N2C=NC3=C(N=CN=C32)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChI
InChI=1S/C28H55N5O4Si3/c1-26(2,3)38(10,11)34-16-19-21(36-39(12,13)27(4,5)6)22(37-40(14,15)28(7,8)9)25(35-19)33-18-32-20-23(29)30-17-31-24(20)33/h17-19,21-22,25H,16H2,1-15H3,(H2,29,30,31)/t19-,21-,22-,25-/m0/s1
InChIKey
YZHKRXBIMOGRMG-RHQSAMMMSA-N
Compound name
9-[(2S,3S,4S,5S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

609.3562 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 610.36348 250.2
[M+Na]+ 632.34542 253.2
[M-H]- 608.34892 253.3
[M+NH4]+ 627.39002 253.0
[M+K]+ 648.31936 253.6
[M+H-H2O]+ 592.35346 243.8
[M+HCOO]- 654.35440 253.4
[M+CH3COO]- 668.37005 260.3
[M+Na-2H]- 630.33087 253.3
[M]+ 609.35565 258.2
[M]- 609.35675 258.2
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

No patent data available for this compound.