CID 513890

[(1r,3s)-3-(6-amino-8-phenyl-9h-purin-9-yl)cyclopentyl]methanol

Structural Information

Molecular Formula
C17H19N5O
SMILES
C1C[C@@H](C[C@@H]1CO)N2C(=NC3=C(N=CN=C32)N)C4=CC=CC=C4
InChI
InChI=1S/C17H19N5O/c18-15-14-17(20-10-19-15)22(13-7-6-11(8-13)9-23)16(21-14)12-4-2-1-3-5-12/h1-5,10-11,13,23H,6-9H2,(H2,18,19,20)/t11-,13+/m1/s1
InChIKey
UJEGPMDVXZCGOB-YPMHNXCESA-N
Compound name
[(1R,3S)-3-(6-amino-8-phenylpurin-9-yl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.15897 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.166246 171.0
[M+Na]+ 332.148188 179.9
[M-H]- 308.151694 176.0
[M+NH4]+ 327.192793 183.7
[M+K]+ 348.122128 173.4
[M+H-H2O]+ 292.156230 160.8
[M+HCOO]- 354.157171 189.5
[M+CH3COO]- 368.172821 181.2
[M+Na-2H]- 330.133636 172.2
[M]+ 309.15842142 169.4
[M]- 309.15951858 169.4
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.