CID 5278255

6-(4-ethylphenyl)-3-[(2r,4s,5r)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C19H22N2O4S
SMILES
CCC1=CC=C(C=C1)C2=CC3=CN(C(=O)NC3S2)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C19H22N2O4S/c1-2-11-3-5-12(6-4-11)16-7-13-9-21(19(24)20-18(13)26-16)17-8-14(23)15(10-22)25-17/h3-7,9,14-15,17-18,22-23H,2,8,10H2,1H3,(H,20,24)/t14-,15+,17+,18?/m0/s1
InChIKey
UXJQIWYKJGSORL-URHIDPGUSA-N
Compound name
6-(4-ethylphenyl)-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.13004 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13732 187.1
[M+Na]+ 397.11926 194.5
[M-H]- 373.12276 192.6
[M+NH4]+ 392.16386 198.8
[M+K]+ 413.09320 189.3
[M+H-H2O]+ 357.12730 181.3
[M+HCOO]- 419.12824 195.3
[M+CH3COO]- 433.14389 195.9
[M+Na-2H]- 395.10471 181.9
[M]+ 374.12949 186.8
[M]- 374.13059 186.8
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.