CID 5278262

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

Structural Information

Molecular Formula
C19H30N2O4S
SMILES
CCCCCCCCC1=CC2=CN(C(=O)NC2S1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C19H30N2O4S/c1-2-3-4-5-6-7-8-14-9-13-11-21(19(24)20-18(13)26-14)17-10-15(23)16(12-22)25-17/h9,11,15-18,22-23H,2-8,10,12H2,1H3,(H,20,24)/t15-,16+,17+,18?/m0/s1
InChIKey
KYOXZVNKKGAIKY-LNAREIQUSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-octyl-1,7a-dihydrothieno[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.19263 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.19991 192.5
[M+Na]+ 405.18185 197.5
[M-H]- 381.18535 193.5
[M+NH4]+ 400.22645 204.1
[M+K]+ 421.15579 192.7
[M+H-H2O]+ 365.18989 186.8
[M+HCOO]- 427.19083 199.2
[M+CH3COO]- 441.20648 211.4
[M+Na-2H]- 403.16730 186.0
[M]+ 382.19208 194.0
[M]- 382.19318 194.0
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.