CID 485100

P-nitrobenzyl-6-selenopurine riboside

Structural Information

Molecular Formula
C17H19N5O2Se
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=C(N=C3[Se]CC4=CC=CC=C4)N
InChI
InChI=1S/C17H19N5O2Se/c18-17-20-15-14(16(21-17)25-9-11-4-2-1-3-5-11)19-10-22(15)13-7-6-12(8-23)24-13/h1-5,10,12-13,23H,6-9H2,(H2,18,20,21)/t12-,13+/m0/s1
InChIKey
WRLLEWWSAKKESS-QWHCGFSZSA-N
Compound name
[(2S,5R)-5-(2-amino-6-benzylselanylpurin-9-yl)oxolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.0704 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.07768 189.9
[M+Na]+ 428.05962 197.8
[M-H]- 404.06312 194.7
[M+NH4]+ 423.10422 199.3
[M+K]+ 444.03356 192.3
[M+H-H2O]+ 388.06766 178.9
[M+HCOO]- 450.06860 206.5
[M+CH3COO]- 464.08425 198.7
[M+Na-2H]- 426.04507 189.6
[M]+ 405.06985 190.3
[M]- 405.07095 190.3
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.