CID 452957

120503-52-8

Structural Information

Molecular Formula
C14H21N5O2
SMILES
CCN(CC)C1=NC=NC2=C1N=CN2[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C14H21N5O2/c1-3-18(4-2)13-12-14(16-8-15-13)19(9-17-12)11-6-5-10(7-20)21-11/h8-11,20H,3-7H2,1-2H3/t10-,11+/m0/s1
InChIKey
NOOVTHQNOQTLPR-WDEREUQCSA-N
Compound name
[(2S,5R)-5-[6-(diethylamino)purin-9-yl]oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.16953 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.176806 167.6
[M+Na]+ 314.158748 175.7
[M-H]- 290.162254 171.3
[M+NH4]+ 309.203353 180.8
[M+K]+ 330.132688 173.8
[M+H-H2O]+ 274.166790 158.1
[M+HCOO]- 336.167731 186.0
[M+CH3COO]- 350.183381 178.5
[M+Na-2H]- 312.144196 169.5
[M]+ 291.16898142 171.0
[M]- 291.17007858 171.0
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.