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]+ 310.16625 171.0
[M+Na]+ 332.14819 179.9
[M-H]- 308.15169 176.0
[M+NH4]+ 327.19279 183.7
[M+K]+ 348.12213 173.4
[M+H-H2O]+ 292.15623 160.8
[M+HCOO]- 354.15717 189.5
[M+CH3COO]- 368.17282 181.2
[M+Na-2H]- 330.13364 172.2
[M]+ 309.15842 169.4
[M]- 309.15952 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.