CID 507435

Schembl5550197

Structural Information

Molecular Formula
C13H18N6O3
SMILES
C1CC(C1)NC2=C3C(=NC(=N2)N)N(C=N3)[C@H]4CO[C@H](O4)CO
InChI
InChI=1S/C13H18N6O3/c14-13-17-11(16-7-2-1-3-7)10-12(18-13)19(6-15-10)8-5-21-9(4-20)22-8/h6-9,20H,1-5H2,(H3,14,16,17,18)/t8-,9-/m1/s1
InChIKey
ASODDDMBNNCHFM-RKDXNWHRSA-N
Compound name
[(2R,4R)-4-[2-amino-6-(cyclobutylamino)purin-9-yl]-1,3-dioxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

306.14404 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15132 163.2
[M+Na]+ 329.13326 168.7
[M-H]- 305.13676 168.7
[M+NH4]+ 324.17786 166.7
[M+K]+ 345.10720 170.4
[M+H-H2O]+ 289.14130 148.5
[M+HCOO]- 351.14224 179.0
[M+CH3COO]- 365.15789 172.6
[M+Na-2H]- 327.11871 165.1
[M]+ 306.14349 171.4
[M]- 306.14459 171.4
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

No patent data available for this compound.