CID 5280129

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

Structural Information

Molecular Formula
C17H21N3O6S
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNS(=O)(=O)C3=CC=CC=C3)O
InChI
InChI=1S/C17H21N3O6S/c1-2-11-10-20(17(23)19-16(11)22)15-8-13(21)14(26-15)9-18-27(24,25)12-6-4-3-5-7-12/h3-7,10,13-15,18,21H,2,8-9H2,1H3,(H,19,22,23)/t13-,14+,15+/m0/s1
InChIKey
HKCQAZFNJGQHBU-RRFJBIMHSA-N
Compound name
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.1151 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.12238 189.5
[M+Na]+ 418.10432 197.1
[M-H]- 394.10782 195.5
[M+NH4]+ 413.14892 197.2
[M+K]+ 434.07826 192.6
[M+H-H2O]+ 378.11236 181.5
[M+HCOO]- 440.11330 202.0
[M+CH3COO]- 454.12895 214.2
[M+Na-2H]- 416.08977 190.0
[M]+ 395.11455 191.6
[M]- 395.11565 191.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.