CID 5278256

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

Structural Information

Molecular Formula
C20H24N2O4S
SMILES
CCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)NC3S2)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C20H24N2O4S/c1-2-3-12-4-6-13(7-5-12)17-8-14-10-22(20(25)21-19(14)27-17)18-9-15(24)16(11-23)26-18/h4-8,10,15-16,18-19,23-24H,2-3,9,11H2,1H3,(H,21,25)/t15-,16+,18+,19?/m0/s1
InChIKey
ZBMVVMDQUCWLEW-QVUZWJOHSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(4-propylphenyl)-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.1457 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.15298 191.2
[M+Na]+ 411.13492 198.1
[M-H]- 387.13842 196.5
[M+NH4]+ 406.17952 202.4
[M+K]+ 427.10886 192.8
[M+H-H2O]+ 371.14296 185.3
[M+HCOO]- 433.14390 199.1
[M+CH3COO]- 447.15955 199.6
[M+Na-2H]- 409.12037 185.6
[M]+ 388.14515 191.3
[M]- 388.14625 191.3
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.