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

literature stripe

Patent stripe

patents stripe