CID 472639

194353-47-4

Structural Information

Molecular Formula
C13H15N5O3
SMILES
C=C[C@H](C1=C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C(N=CN=C32)N)O
InChI
InChI=1S/C13H15N5O3/c1-2-8(19)6-3-7(11(21)10(6)20)18-5-17-9-12(14)15-4-16-13(9)18/h2-5,7-8,10-11,19-21H,1H2,(H2,14,15,16)/t7-,8-,10-,11+/m1/s1
InChIKey
GNCUJTNOTBPTGN-OYBPUVFXSA-N
Compound name
(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-[(1R)-1-hydroxyprop-2-enyl]cyclopent-3-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

289.1175 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12478 165.4
[M+Na]+ 312.10672 175.3
[M-H]- 288.11022 165.8
[M+NH4]+ 307.15132 178.2
[M+K]+ 328.08066 170.0
[M+H-H2O]+ 272.11476 157.6
[M+HCOO]- 334.11570 181.9
[M+CH3COO]- 348.13135 175.6
[M+Na-2H]- 310.09217 165.2
[M]+ 289.11695 164.7
[M]- 289.11805 164.7
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.