CID 476481

Chembl5415176

Structural Information

Molecular Formula
C10H14N6O2
SMILES
C1[C@@H]([C@H](N1N2C=NC3=C(N=CN=C32)N)CO)CO
InChI
InChI=1S/C10H14N6O2/c11-9-8-10(13-4-12-9)16(5-14-8)15-1-6(2-17)7(15)3-18/h4-7,17-18H,1-3H2,(H2,11,12,13)/t6-,7-/m1/s1
InChIKey
SSWJNEJQCNDZTO-RNFRBKRXSA-N
Compound name
[(2S,3S)-1-(6-aminopurin-9-yl)-2-(hydroxymethyl)azetidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

250.11783 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12511 158.8
[M+Na]+ 273.10705 167.5
[M-H]- 249.11055 157.7
[M+NH4]+ 268.15165 164.3
[M+K]+ 289.08099 166.0
[M+H-H2O]+ 233.11509 144.0
[M+HCOO]- 295.11603 174.1
[M+CH3COO]- 309.13168 195.4
[M+Na-2H]- 271.09250 162.2
[M]+ 250.11728 167.0
[M]- 250.11838 167.0
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

No patent data available for this compound.