CID 5275933

N-[[(2r,3s,5r)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]-2-methoxy-benzamide

Structural Information

Molecular Formula
C19H23N3O6
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C3=CC=CC=C3OC)O
InChI
InChI=1S/C19H23N3O6/c1-3-11-10-22(19(26)21-17(11)24)16-8-13(23)15(28-16)9-20-18(25)12-6-4-5-7-14(12)27-2/h4-7,10,13,15-16,23H,3,8-9H2,1-2H3,(H,20,25)(H,21,24,26)/t13-,15+,16+/m0/s1
InChIKey
IDDGSARLANUBKH-NUEKZKHPSA-N
Compound name
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.1587 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16598 190.2
[M+Na]+ 412.14792 196.9
[M-H]- 388.15142 196.2
[M+NH4]+ 407.19252 197.6
[M+K]+ 428.12186 193.6
[M+H-H2O]+ 372.15596 180.7
[M+HCOO]- 434.15690 207.0
[M+CH3COO]- 448.17255 218.3
[M+Na-2H]- 410.13337 188.7
[M]+ 389.15815 191.7
[M]- 389.15925 191.7
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.