CID 493474

Cf1717

Structural Information

Molecular Formula
C22H34N2O5
SMILES
CCCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C22H34N2O5/c1-2-3-4-5-6-7-8-9-10-11-17-12-16-14-24(22(27)23-21(16)28-17)20-13-18(26)19(15-25)29-20/h12,14,18-20,25-26H,2-11,13,15H2,1H3/t18-,19+,20+/m0/s1
InChIKey
OCHGSLPHQSRFSL-XUVXKRRUSA-N
Compound name
3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-undecylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

406.24677 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.25405 200.8
[M+Na]+ 429.23599 207.2
[M-H]- 405.23949 204.3
[M+NH4]+ 424.28059 210.0
[M+K]+ 445.20993 203.9
[M+H-H2O]+ 389.24403 193.1
[M+HCOO]- 451.24497 215.7
[M+CH3COO]- 465.26062 220.3
[M+Na-2H]- 427.22144 198.2
[M]+ 406.24622 208.5
[M]- 406.24732 208.5
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.