CID 6479206

Chembl3143806

Structural Information

Molecular Formula
C15H21N5O3
SMILES
CCC/C=C\C1=NC2=C(N=CN=C2N1[C@H]3C[C@@H]([C@H](O3)CO)O)N
InChI
InChI=1S/C15H21N5O3/c1-2-3-4-5-11-19-13-14(16)17-8-18-15(13)20(11)12-6-9(22)10(7-21)23-12/h4-5,8-10,12,21-22H,2-3,6-7H2,1H3,(H2,16,17,18)/b5-4-/t9-,10+,12+/m0/s1
InChIKey
FQMJWKUFTCWRMY-ZLWSJPTFSA-N
Compound name
(2R,3S,5R)-5-[6-amino-8-[(Z)-pent-1-enyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.16443 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17171 176.4
[M+Na]+ 342.15365 185.4
[M-H]- 318.15715 177.6
[M+NH4]+ 337.19825 187.4
[M+K]+ 358.12759 180.8
[M+H-H2O]+ 302.16169 167.8
[M+HCOO]- 364.16263 192.2
[M+CH3COO]- 378.17828 204.9
[M+Na-2H]- 340.13910 175.7
[M]+ 319.16388 177.6
[M]- 319.16498 177.6
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.