CID 3001872

[(1s,2s,4s,5s)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-bicyclo[3.1.0]hexanyl]methanol

Structural Information

Molecular Formula
C13H17N5O2
SMILES
C1[C@@H]([C@@]2(C[C@@H]2[C@H]1N3C=NC4=C(N=CN=C43)N)CO)CO
InChI
InChI=1S/C13H17N5O2/c14-11-10-12(16-5-15-11)18(6-17-10)9-1-7(3-19)13(4-20)2-8(9)13/h5-9,19-20H,1-4H2,(H2,14,15,16)/t7-,8-,9+,13-/m1/s1
InChIKey
OZHVLGSYPOGCRG-RVBSWOSCSA-N
Compound name
[(1S,2S,4S,5S)-4-(6-aminopurin-9-yl)-1-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.1382 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.14548 168.4
[M+Na]+ 298.12742 181.2
[M-H]- 274.13092 170.7
[M+NH4]+ 293.17202 180.7
[M+K]+ 314.10136 173.8
[M+H-H2O]+ 258.13546 161.8
[M+HCOO]- 320.13640 185.2
[M+CH3COO]- 334.15205 178.8
[M+Na-2H]- 296.11287 171.4
[M]+ 275.13765 171.7
[M]- 275.13875 171.7
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.