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

literature stripe

Patent stripe

patents stripe