CID 471296

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

Structural Information

Molecular Formula
C17H19N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)C3=CN(C=CC3)C
InChI
InChI=1S/C17H19N3O5/c1-11-8-20(17(23)18-15(11)21)14-6-5-13(25-14)10-24-16(22)12-4-3-7-19(2)9-12/h3,5-9,13-14H,4,10H2,1-2H3,(H,18,21,23)/t13-,14+/m0/s1
InChIKey
FDGMLYWKDUYVBL-UONOGXRCSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl 1-methyl-4H-pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.13248 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.13976 178.8
[M+Na]+ 368.12170 187.3
[M-H]- 344.12520 184.7
[M+NH4]+ 363.16630 187.5
[M+K]+ 384.09564 184.0
[M+H-H2O]+ 328.12974 168.9
[M+HCOO]- 390.13068 195.3
[M+CH3COO]- 404.14633 208.2
[M+Na-2H]- 366.10715 178.3
[M]+ 345.13193 180.7
[M]- 345.13303 180.7
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.