CID 5272897

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

Structural Information

Molecular Formula
C19H30N2O5
SMILES
CCCCCCCCC1=CC2CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C19H30N2O5/c1-2-3-4-5-6-7-8-14-9-13-11-21(19(24)20-18(13)25-14)17-10-15(23)16(12-22)26-17/h9,13,15-17,22-23H,2-8,10-12H2,1H3/t13?,15-,16+,17+/m0/s1
InChIKey
DSNIOMQIACULAP-ZKWWWUMQSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-octyl-4,4a-dihydrofuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.21548 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.22276 190.4
[M+Na]+ 389.20470 195.3
[M-H]- 365.20820 193.2
[M+NH4]+ 384.24930 200.9
[M+K]+ 405.17864 192.9
[M+H-H2O]+ 349.21274 183.5
[M+HCOO]- 411.21368 202.0
[M+CH3COO]- 425.22933 212.6
[M+Na-2H]- 387.19015 186.7
[M]+ 366.21493 192.8
[M]- 366.21603 192.8
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.