CID 134817110

(2r,3s,5r)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-2-(trifluoromethyl)tetrahydrofuran-3-ol

Structural Information

Molecular Formula
C11H13F3N6O3
SMILES
C1[C@@H]([C@](O[C@H]1N2C=NC3=C(N=C(N=C32)N)N)(CO)C(F)(F)F)O
InChI
InChI=1S/C11H13F3N6O3/c12-11(13,14)10(2-21)4(22)1-5(23-10)20-3-17-6-7(15)18-9(16)19-8(6)20/h3-5,21-22H,1-2H2,(H4,15,16,18,19)/t4-,5+,10+/m0/s1
InChIKey
PKSGAHJWSYCBNF-LBACSGLVSA-N
Compound name
(2R,3S,5R)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)-2-(trifluoromethyl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.10013 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.10741 168.2
[M+Na]+ 357.08935 179.3
[M-H]- 333.09285 166.4
[M+NH4]+ 352.13395 180.1
[M+K]+ 373.06329 175.4
[M+H-H2O]+ 317.09739 158.9
[M+HCOO]- 379.09833 181.0
[M+CH3COO]- 393.11398 206.8
[M+Na-2H]- 355.07480 170.8
[M]+ 334.09958 164.2
[M]- 334.10068 164.2
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.