CID 15958331

1h-purine-1-acetic acid, 9-[(2r,5s)-5-[[[(1,1-dimethylethyl)dimethylsilyl]oxy]methyl]tetrahydro-2-furanyl]-6,9-dihydro-6-oxo-

Structural Information

Molecular Formula
C18H28N4O5Si
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1CC[C@@H](O1)N2C=NC3=C2N=CN(C3=O)CC(=O)O
InChI
InChI=1S/C18H28N4O5Si/c1-18(2,3)28(4,5)26-9-12-6-7-13(27-12)22-11-19-15-16(22)20-10-21(17(15)25)8-14(23)24/h10-13H,6-9H2,1-5H3,(H,23,24)/t12-,13+/m0/s1
InChIKey
ZFHWDMFSDMGHBI-QWHCGFSZSA-N
Compound name
2-[9-[(2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-6-oxopurin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.1829 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.19018 196.9
[M+Na]+ 431.17212 204.4
[M-H]- 407.17562 199.6
[M+NH4]+ 426.21672 205.6
[M+K]+ 447.14606 202.8
[M+H-H2O]+ 391.18016 189.3
[M+HCOO]- 453.18110 208.5
[M+CH3COO]- 467.19675 218.6
[M+Na-2H]- 429.15757 197.5
[M]+ 408.18235 202.8
[M]- 408.18345 202.8
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

No patent data available for this compound.