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

literature stripe

Patent stripe

patents stripe