CID 5273492

714250-18-7

Structural Information

Molecular Formula
C13H19N5O4
SMILES
CCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@]([C@@H]([C@H](O3)CO)O)(C)O
InChI
InChI=1S/C13H19N5O4/c1-3-14-10-8-11(16-5-15-10)18(6-17-8)12-13(2,21)9(20)7(4-19)22-12/h5-7,9,12,19-21H,3-4H2,1-2H3,(H,14,15,16)/t7-,9-,12-,13-/m1/s1
InChIKey
DCTQELPEFHYCSU-NHULRPGXSA-N
Compound name
(2R,3R,4R,5R)-2-[6-(ethylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.1437 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15098 168.3
[M+Na]+ 332.13292 178.2
[M-H]- 308.13642 169.3
[M+NH4]+ 327.17752 181.2
[M+K]+ 348.10686 175.0
[M+H-H2O]+ 292.14096 160.8
[M+HCOO]- 354.14190 184.0
[M+CH3COO]- 368.15755 178.6
[M+Na-2H]- 330.11837 171.0
[M]+ 309.14315 170.7
[M]- 309.14425 170.7
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.