CID 359612

Beta-d-ribofuranosylamine, n-(8-methoxypyrimido[5,4-d]pyrimidin-4-yl)-

Structural Information

Molecular Formula
C12H15N5O5
SMILES
COC1=NC=NC2=C1N=CN=C2NC3C(C(C(O3)CO)O)O
InChI
InChI=1S/C12H15N5O5/c1-21-11-7-6(13-4-16-11)10(15-3-14-7)17-12-9(20)8(19)5(2-18)22-12/h3-5,8-9,12,18-20H,2H2,1H3,(H,14,15,17)
InChIKey
GJKFEQPZRZBOJH-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-5-[(4-methoxypyrimido[5,4-d]pyrimidin-8-yl)amino]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.10733 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11461 168.8
[M+Na]+ 332.09655 177.2
[M-H]- 308.10005 168.9
[M+NH4]+ 327.14115 177.4
[M+K]+ 348.07049 174.3
[M+H-H2O]+ 292.10459 159.7
[M+HCOO]- 354.10553 182.6
[M+CH3COO]- 368.12118 200.8
[M+Na-2H]- 330.08200 172.5
[M]+ 309.10678 169.6
[M]- 309.10788 169.6
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

No patent data available for this compound.