CID 5275935

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

Structural Information

Molecular Formula
C18H19Cl2N3O5
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C3=C(C=CC=C3Cl)Cl)O
InChI
InChI=1S/C18H19Cl2N3O5/c1-2-9-8-23(18(27)22-16(9)25)14-6-12(24)13(28-14)7-21-17(26)15-10(19)4-3-5-11(15)20/h3-5,8,12-14,24H,2,6-7H2,1H3,(H,21,26)(H,22,25,27)/t12-,13+,14+/m0/s1
InChIKey
WNJCFYZMINGKSA-BFHYXJOUSA-N
Compound name
2,6-dichloro-N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

427.0702 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.07748 196.3
[M+Na]+ 450.05942 205.6
[M-H]- 426.06292 202.0
[M+NH4]+ 445.10402 204.1
[M+K]+ 466.03336 199.5
[M+H-H2O]+ 410.06746 188.5
[M+HCOO]- 472.06840 203.7
[M+CH3COO]- 486.08405 221.8
[M+Na-2H]- 448.04487 193.2
[M]+ 427.06965 200.1
[M]- 427.07075 200.1
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.