CID 5275931

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

Structural Information

Molecular Formula
C19H23N3O5
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C3=CC=CC=C3C)O
InChI
InChI=1S/C19H23N3O5/c1-3-12-10-22(19(26)21-17(12)24)16-8-14(23)15(27-16)9-20-18(25)13-7-5-4-6-11(13)2/h4-7,10,14-16,23H,3,8-9H2,1-2H3,(H,20,25)(H,21,24,26)/t14-,15+,16+/m0/s1
InChIKey
ROQXRINQAOIDAC-ARFHVFGLSA-N
Compound name
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

373.16376 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.17104 188.2
[M+Na]+ 396.15298 195.3
[M-H]- 372.15648 194.2
[M+NH4]+ 391.19758 196.4
[M+K]+ 412.12692 191.1
[M+H-H2O]+ 356.16102 178.9
[M+HCOO]- 418.16196 204.9
[M+CH3COO]- 432.17761 215.9
[M+Na-2H]- 394.13843 186.4
[M]+ 373.16321 188.4
[M]- 373.16431 188.4
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.