CID 5274179

2(1h)-pyrimidinone, 4-amino-1-(2-deoxy-.alpha.-d-erythro-pentofuranosyl)-5-(2-selenophenyl)-

Structural Information

Molecular Formula
C13H15N3O4Se
SMILES
C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=NC2=O)N)C3=CC=C[Se]3)CO)O
InChI
InChI=1S/C13H15N3O4Se/c14-12-7(10-2-1-3-21-10)5-16(13(19)15-12)11-4-8(18)9(6-17)20-11/h1-3,5,8-9,11,17-18H,4,6H2,(H2,14,15,19)/t8-,9+,11-/m0/s1
InChIKey
VTCLKLOIRVOJPW-NGZCFLSTSA-N
Compound name
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-selenophen-2-ylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.02277 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.03005 175.6
[M+Na]+ 380.01199 183.3
[M-H]- 356.01549 181.3
[M+NH4]+ 375.05659 188.3
[M+K]+ 395.98593 179.8
[M+H-H2O]+ 340.02003 167.4
[M+HCOO]- 402.02097 194.2
[M+CH3COO]- 416.03662 200.0
[M+Na-2H]- 377.99744 173.6
[M]+ 357.02222 174.3
[M]- 357.02332 174.3
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.