CID 493440

215108-37-5

Structural Information

Molecular Formula
C13H17N5O3
SMILES
C1CC1NC2=C3C(=NC=N2)N(C=N3)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C13H17N5O3/c19-4-9-8(20)3-10(21-9)18-6-16-11-12(17-7-1-2-7)14-5-15-13(11)18/h5-10,19-20H,1-4H2,(H,14,15,17)/t8-,9+,10+/m0/s1
InChIKey
XJXYMDXJBRCQMC-IVZWLZJFSA-N
Compound name
(2R,3S,5R)-5-[6-(cyclopropylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

291.13315 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14043 169.0
[M+Na]+ 314.12237 179.8
[M-H]- 290.12587 174.1
[M+NH4]+ 309.16697 176.4
[M+K]+ 330.09631 174.0
[M+H-H2O]+ 274.13041 161.0
[M+HCOO]- 336.13135 186.2
[M+CH3COO]- 350.14700 179.1
[M+Na-2H]- 312.10782 170.9
[M]+ 291.13260 172.0
[M]- 291.13370 172.0
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.