CID 495369

Nsc651413

Structural Information

Molecular Formula
C11H15N5O4
SMILES
CC1([C@@H]([C@@H]([C@H](O1)N2C=NC3=C(N=CN=C32)N)O)O)CO
InChI
InChI=1S/C11H15N5O4/c1-11(2-17)7(19)6(18)10(20-11)16-4-15-5-8(12)13-3-14-9(5)16/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,13,14)/t6-,7+,10-,11?/m0/s1
InChIKey
ZYRABNSYSYDHMR-JYTIKFDFSA-N
Compound name
(3R,4S,5S)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.1124 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11968 160.2
[M+Na]+ 304.10162 171.1
[M-H]- 280.10512 161.2
[M+NH4]+ 299.14622 174.1
[M+K]+ 320.07556 168.0
[M+H-H2O]+ 264.10966 153.2
[M+HCOO]- 326.11060 176.0
[M+CH3COO]- 340.12625 171.2
[M+Na-2H]- 302.08707 163.0
[M]+ 281.11185 161.1
[M]- 281.11295 161.1
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.