CID 6482629

(2r,3r,4s,5r)-2-[(8-aminopyrimido[5,4-d]pyrimidin-4-yl)amino]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol

Structural Information

Molecular Formula
C11H14N6O4
SMILES
C1=NC2=C(C(=N1)N)N=CN=C2N[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H14N6O4/c12-9-5-6(14-2-15-9)10(16-3-13-5)17-11-8(20)7(19)4(1-18)21-11/h2-4,7-8,11,18-20H,1H2,(H2,12,14,15)(H,13,16,17)/t4-,7-,8-,11-/m1/s1
InChIKey
IHGZYTMKBPUIQA-TZQXKBMNSA-N
Compound name
(2R,3R,4S,5R)-2-[(8-aminopyrimido[5,4-d]pyrimidin-4-yl)amino]-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

294.10767 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11495 165.4
[M+Na]+ 317.09689 173.7
[M-H]- 293.10039 165.4
[M+NH4]+ 312.14149 174.2
[M+K]+ 333.07083 170.0
[M+H-H2O]+ 277.10493 156.4
[M+HCOO]- 339.10587 179.9
[M+CH3COO]- 353.12152 174.5
[M+Na-2H]- 315.08234 169.3
[M]+ 294.10712 163.0
[M]- 294.10822 163.0
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.