CID 5275930

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

Structural Information

Molecular Formula
C18H20ClN3O5
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C3=CC=CC=C3Cl)O
InChI
InChI=1S/C18H20ClN3O5/c1-2-10-9-22(18(26)21-16(10)24)15-7-13(23)14(27-15)8-20-17(25)11-5-3-4-6-12(11)19/h3-6,9,13-15,23H,2,7-8H2,1H3,(H,20,25)(H,21,24,26)/t13-,14+,15+/m0/s1
InChIKey
FSMMZAQSVQRTPW-RRFJBIMHSA-N
Compound name
2-chloro-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

393.10916 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.11644 190.4
[M+Na]+ 416.09838 198.7
[M-H]- 392.10188 196.5
[M+NH4]+ 411.14298 198.8
[M+K]+ 432.07232 193.3
[M+H-H2O]+ 376.10642 181.9
[M+HCOO]- 438.10736 202.9
[M+CH3COO]- 452.12301 216.5
[M+Na-2H]- 414.08383 188.7
[M]+ 393.10861 192.5
[M]- 393.10971 192.5
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.