CID 16077146

[(3s,5s)-5-(6-aminopurin-9-yl)-3-phenyl-tetrahydrofuran-3-yl]methanol

Structural Information

Molecular Formula
C16H17N5O2
SMILES
C1[C@H](OC[C@]1(CO)C2=CC=CC=C2)N3C=NC4=C(N=CN=C43)N
InChI
InChI=1S/C16H17N5O2/c17-14-13-15(19-9-18-14)21(10-20-13)12-6-16(7-22,8-23-12)11-4-2-1-3-5-11/h1-5,9-10,12,22H,6-8H2,(H2,17,18,19)/t12-,16-/m0/s1
InChIKey
VHDSUIPSEHYBCN-LRDDRELGSA-N
Compound name
[(3S,5S)-5-(6-aminopurin-9-yl)-3-phenyloxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.1382 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.14548 168.3
[M+Na]+ 334.12742 177.9
[M-H]- 310.13092 174.1
[M+NH4]+ 329.17202 181.4
[M+K]+ 350.10136 173.4
[M+H-H2O]+ 294.13546 158.4
[M+HCOO]- 356.13640 186.5
[M+CH3COO]- 370.15205 179.1
[M+Na-2H]- 332.11287 172.2
[M]+ 311.13765 168.3
[M]- 311.13875 168.3
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.