CID 3010381

Wcpbxrcxtcurql-mfytuxhusa-n

Structural Information

Molecular Formula
C12H15N3O4Se
SMILES
C[Se]C1=NC=NC2=C1C=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C12H15N3O4Se/c1-20-11-6-2-3-15(10(6)13-5-14-11)12-9(18)8(17)7(4-16)19-12/h2-3,5,7-9,12,16-18H,4H2,1H3/t7-,8-,9-,12-/m1/s1
InChIKey
WCPBXRCXTCURQL-MFYTUXHUSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-(4-methylselanylpyrrolo[2,3-d]pyrimidin-7-yl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.02277 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.03005 173.9
[M+Na]+ 368.01199 183.3
[M-H]- 344.01549 175.3
[M+NH4]+ 363.05659 187.1
[M+K]+ 383.98593 179.7
[M+H-H2O]+ 328.02003 166.3
[M+HCOO]- 390.02097 189.1
[M+CH3COO]- 404.03662 184.1
[M+Na-2H]- 365.99744 173.4
[M]+ 345.02222 176.0
[M]- 345.02332 176.0
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.