CID 472825

Schembl2180751

Structural Information

Molecular Formula
C10H14N6O2
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)CN
InChI
InChI=1S/C10H14N6O2/c11-2-5-1-6(17)10(18-5)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,10,17H,1-2,11H2,(H2,12,13,14)/t5-,6+,10+/m0/s1
InChIKey
OUWWPEOHTKKJPJ-BAJZRUMYSA-N
Compound name
(2R,3R,5S)-5-(aminomethyl)-2-(6-aminopurin-9-yl)oxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

250.11783 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12511 153.5
[M+Na]+ 273.10705 163.4
[M-H]- 249.11055 156.1
[M+NH4]+ 268.15165 167.3
[M+K]+ 289.08099 160.3
[M+H-H2O]+ 233.11509 144.9
[M+HCOO]- 295.11603 172.7
[M+CH3COO]- 309.13168 165.0
[M+Na-2H]- 271.09250 156.4
[M]+ 250.11728 152.4
[M]- 250.11838 152.4
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

patents stripe