CID 465303

[3-(n-9-adenyl)propyl]methylphenylsilanol

Structural Information

Molecular Formula
C15H19N5OSi
SMILES
C[Si](CCCN1C=NC2=C(N=CN=C21)N)(C3=CC=CC=C3)O
InChI
InChI=1S/C15H19N5OSi/c1-22(21,12-6-3-2-4-7-12)9-5-8-20-11-19-13-14(16)17-10-18-15(13)20/h2-4,6-7,10-11,21H,5,8-9H2,1H3,(H2,16,17,18)
InChIKey
IPBHBJWOKDWVLU-UHFFFAOYSA-N
Compound name
9-[3-(hydroxy-methyl-phenylsilyl)propyl]purin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1359 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14318 173.3
[M+Na]+ 336.12512 182.1
[M-H]- 312.12862 174.5
[M+NH4]+ 331.16972 184.7
[M+K]+ 352.09906 175.9
[M+H-H2O]+ 296.13316 163.3
[M+HCOO]- 358.13410 190.9
[M+CH3COO]- 372.14975 183.1
[M+Na-2H]- 334.11057 180.0
[M]+ 313.13535 174.2
[M]- 313.13645 174.2
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.