CID 490252

[(2r,3s,5r)-5-(2,4-dioxo-5-vinyl-pyrimidin-1-yl)-2-(hydroxymethyl)tetrahydrofuran-3-yl] 1-methyl-4h-pyridine-3-carboxylate

Structural Information

Molecular Formula
C18H21N3O6
SMILES
CN1C=CCC(=C1)C(=O)O[C@H]2C[C@@H](O[C@@H]2CO)N3C=C(C(=O)NC3=O)C=C
InChI
InChI=1S/C18H21N3O6/c1-3-11-9-21(18(25)19-16(11)23)15-7-13(14(10-22)26-15)27-17(24)12-5-4-6-20(2)8-12/h3-4,6,8-9,13-15,22H,1,5,7,10H2,2H3,(H,19,23,25)/t13-,14+,15+/m0/s1
InChIKey
JOUYLTGMRXSOGB-RRFJBIMHSA-N
Compound name
[(2R,3S,5R)-5-(5-ethenyl-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] 1-methyl-4H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.14304 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15032 186.5
[M+Na]+ 398.13226 194.0
[M-H]- 374.13576 191.0
[M+NH4]+ 393.17686 193.3
[M+K]+ 414.10620 190.1
[M+H-H2O]+ 358.14030 177.0
[M+HCOO]- 420.14124 200.1
[M+CH3COO]- 434.15689 212.5
[M+Na-2H]- 396.11771 183.7
[M]+ 375.14249 186.8
[M]- 375.14359 186.8
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.