CID 67875634

Schembl9548611

Structural Information

Molecular Formula
C11H16N6O3
SMILES
C[C@]1([C@H](C[C@@H](O1)N2C=NC3=C(N=C(N=C32)N)N)O)CO
InChI
InChI=1S/C11H16N6O3/c1-11(3-18)5(19)2-6(20-11)17-4-14-7-8(12)15-10(13)16-9(7)17/h4-6,18-19H,2-3H2,1H3,(H4,12,13,15,16)/t5-,6+,11+/m0/s1
InChIKey
JFGARPNWULJLTM-WGDKSQQYSA-N
Compound name
(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

280.1284 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13568 160.4
[M+Na]+ 303.11762 171.1
[M-H]- 279.12112 162.3
[M+NH4]+ 298.16222 174.6
[M+K]+ 319.09156 167.9
[M+H-H2O]+ 263.12566 152.9
[M+HCOO]- 325.12660 178.0
[M+CH3COO]- 339.14225 171.5
[M+Na-2H]- 301.10307 163.3
[M]+ 280.12785 160.2
[M]- 280.12895 160.2
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.