CID 73317

964-21-6

Structural Information

Molecular Formula
C11H15N5O4
SMILES
COC1=NC(=NC2=C1N=CN2[C@H]3C[C@@H]([C@H](O3)CO)O)N
InChI
InChI=1S/C11H15N5O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3,(H2,12,14,15)/t5-,6+,7+/m0/s1
InChIKey
BCKDNMPYCIOBTA-RRKCRQDMSA-N
Compound name
(2R,3S,5R)-5-(2-amino-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

81
References

362
Patents

281.1124 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 161.0
[M+Na]+ 304.10162 171.2
[M-H]- 280.10512 162.9
[M+NH4]+ 299.14622 173.4
[M+K]+ 320.07556 168.7
[M+H-H2O]+ 264.10966 153.0
[M+HCOO]- 326.11060 178.2
[M+CH3COO]- 340.12625 172.1
[M+Na-2H]- 302.08707 162.7
[M]+ 281.11185 163.2
[M]- 281.11295 163.2
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.