CID 451775

120503-30-2

Structural Information

Molecular Formula
C12H17N5O2
SMILES
CN(C)C1=NC=NC2=C1N=CN2[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C12H17N5O2/c1-16(2)11-10-12(14-6-13-11)17(7-15-10)9-4-3-8(5-18)19-9/h6-9,18H,3-5H2,1-2H3/t8-,9+/m0/s1
InChIKey
DOEIDNFVZPMPSN-DTWKUNHWSA-N
Compound name
[(2S,5R)-5-[6-(dimethylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

96
Patents

263.1382 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.14548 158.6
[M+Na]+ 286.12742 167.7
[M-H]- 262.13092 162.7
[M+NH4]+ 281.17202 173.0
[M+K]+ 302.10136 166.2
[M+H-H2O]+ 246.13546 149.5
[M+HCOO]- 308.13640 177.8
[M+CH3COO]- 322.15205 170.4
[M+Na-2H]- 284.11287 161.6
[M]+ 263.13765 161.4
[M]- 263.13875 161.4
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.