CID 5275936

N-[[(2r,3s,5r)-5-(5-ethyl-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl]-2,6-dimethyl-benzamide

Structural Information

Molecular Formula
C20H25N3O5
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C3=C(C=CC=C3C)C)O
InChI
InChI=1S/C20H25N3O5/c1-4-13-10-23(20(27)22-18(13)25)16-8-14(24)15(28-16)9-21-19(26)17-11(2)6-5-7-12(17)3/h5-7,10,14-16,24H,4,8-9H2,1-3H3,(H,21,26)(H,22,25,27)/t14-,15+,16+/m0/s1
InChIKey
KTLMSZZOPGBWRB-ARFHVFGLSA-N
Compound name
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2,6-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.1794 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.18668 193.1
[M+Na]+ 410.16862 200.6
[M-H]- 386.17212 199.3
[M+NH4]+ 405.21322 201.0
[M+K]+ 426.14256 196.3
[M+H-H2O]+ 370.17666 184.0
[M+HCOO]- 432.17760 209.4
[M+CH3COO]- 446.19325 220.3
[M+Na-2H]- 408.15407 190.1
[M]+ 387.17885 194.0
[M]- 387.17995 194.0
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.