CID 465304

1-[3-(n-9-adenyl)propyl]methylphenyl-3-(methylphenyl)disiloxan-3-ol

Structural Information

Molecular Formula
C22H27N5O2Si2
SMILES
C[Si](CCCN1C=NC2=C(N=CN=C21)N)(C3=CC=CC=C3)O[Si](C)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H27N5O2Si2/c1-30(18-10-5-3-6-11-18,29-31(2,28)19-12-7-4-8-13-19)15-9-14-27-17-26-20-21(23)24-16-25-22(20)27/h3-8,10-13,16-17,28H,9,14-15H2,1-2H3,(H2,23,24,25)
InChIKey
YLUXPZLFKKHIHE-UHFFFAOYSA-N
Compound name
9-[3-[(hydroxy-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.17032 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.17760 206.8
[M+Na]+ 472.15954 212.9
[M-H]- 448.16304 210.5
[M+NH4]+ 467.20414 212.3
[M+K]+ 488.13348 205.9
[M+H-H2O]+ 432.16758 195.0
[M+HCOO]- 494.16852 221.0
[M+CH3COO]- 508.18417 213.6
[M+Na-2H]- 470.14499 212.9
[M]+ 449.16977 208.2
[M]- 449.17087 208.2
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.