CID 512738

96964-08-8

Structural Information

Molecular Formula
C17H28N2O5
SMILES
CCCCCCCCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C17H28N2O5/c1-2-3-4-5-6-7-8-12-10-19(17(23)18-16(12)22)15-9-13(21)14(11-20)24-15/h10,13-15,20-21H,2-9,11H2,1H3,(H,18,22,23)/t13-,14+,15+/m0/s1
InChIKey
COHJIESNWCKYGM-RRFJBIMHSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-octylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

340.19983 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20711 181.6
[M+Na]+ 363.18905 187.9
[M-H]- 339.19255 182.1
[M+NH4]+ 358.23365 191.2
[M+K]+ 379.16299 183.7
[M+H-H2O]+ 323.19709 173.5
[M+HCOO]- 385.19803 195.9
[M+CH3COO]- 399.21368 205.1
[M+Na-2H]- 361.17450 179.5
[M]+ 340.19928 183.4
[M]- 340.20038 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.