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]+ 292.17681 167.6
[M+Na]+ 314.15875 175.7
[M-H]- 290.16225 171.3
[M+NH4]+ 309.20335 180.8
[M+K]+ 330.13269 173.8
[M+H-H2O]+ 274.16679 158.1
[M+HCOO]- 336.16773 186.0
[M+CH3COO]- 350.18338 178.5
[M+Na-2H]- 312.14420 169.5
[M]+ 291.16898 171.0
[M]- 291.17008 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.