CID 482101

(+/-)-beta-9-(2-hydroxymethyl-1,3-oxaselenolan-5-yl) adenine

Structural Information

Molecular Formula
C9H13N5O2Se
SMILES
C1[C@@H](O[C@@H]([Se]1)CO)N2C=NC3=C2NC=NC3N
InChI
InChI=1S/C9H13N5O2Se/c10-8-7-9(12-3-11-8)14(4-13-7)5-2-17-6(1-15)16-5/h3-6,8,15H,1-2,10H2,(H,11,12)/t5-,6+,8?/m1/s1
InChIKey
YCINSOZRIHKFQA-RSHNMJPRSA-N
Compound name
[(2S,5R)-5-(6-amino-3,6-dihydropurin-9-yl)-1,3-oxaselenolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.02344 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.03072 164.0
[M+Na]+ 326.01266 170.9
[M-H]- 302.01616 163.8
[M+NH4]+ 321.05726 176.9
[M+K]+ 341.98660 167.5
[M+H-H2O]+ 286.02070 154.8
[M+HCOO]- 348.02164 177.7
[M+CH3COO]- 362.03729 173.2
[M+Na-2H]- 323.99811 164.2
[M]+ 303.02289 159.3
[M]- 303.02399 159.3
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.