CID 472640

194353-48-5

Structural Information

Molecular Formula
C13H17N5O3
SMILES
CC[C@H](C1=C[C@H]([C@@H]([C@@H]1O)O)N2C=NC3=C(N=CN=C32)N)O
InChI
InChI=1S/C13H17N5O3/c1-2-8(19)6-3-7(11(21)10(6)20)18-5-17-9-12(14)15-4-16-13(9)18/h3-5,7-8,10-11,19-21H,2H2,1H3,(H2,14,15,16)/t7-,8-,10-,11+/m1/s1
InChIKey
YGSAELNNZOSMRA-OYBPUVFXSA-N
Compound name
(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-[(1R)-1-hydroxypropyl]cyclopent-3-ene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

291.13315 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14043 165.9
[M+Na]+ 314.12237 175.5
[M-H]- 290.12587 166.2
[M+NH4]+ 309.16697 178.7
[M+K]+ 330.09631 170.8
[M+H-H2O]+ 274.13041 158.0
[M+HCOO]- 336.13135 182.2
[M+CH3COO]- 350.14700 176.0
[M+Na-2H]- 312.10782 165.7
[M]+ 291.13260 165.8
[M]- 291.13370 165.8
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.