CID 5274168

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

Structural Information

Molecular Formula
C12H14N4O4S
SMILES
C1[C@@H]([C@H](O[C@@H]1N2C=C(C(=NC2=O)N)C3=NC=CS3)CO)O
InChI
InChI=1S/C12H14N4O4S/c13-10-6(11-14-1-2-21-11)4-16(12(19)15-10)9-3-7(18)8(5-17)20-9/h1-2,4,7-9,17-18H,3,5H2,(H2,13,15,19)/t7-,8+,9-/m0/s1
InChIKey
XWTPCLGKQPUEMR-YIZRAAEISA-N
Compound name
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(1,3-thiazol-2-yl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

310.07358 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08086 167.0
[M+Na]+ 333.06280 176.7
[M-H]- 309.06630 172.4
[M+NH4]+ 328.10740 179.1
[M+K]+ 349.03674 173.0
[M+H-H2O]+ 293.07084 160.0
[M+HCOO]- 355.07178 181.1
[M+CH3COO]- 369.08743 177.9
[M+Na-2H]- 331.04825 164.4
[M]+ 310.07303 168.1
[M]- 310.07413 168.1
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.