CID 3007811

6-dodecyl-3-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C23H36N2O4
SMILES
CCCCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C23H36N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-19-15-18-16-25(23(27)24-22(18)29-19)21-14-13-20(17-26)28-21/h15-16,20-21,26H,2-14,17H2,1H3/t20-,21+/m0/s1
InChIKey
SHQAZZDQGBNBSE-LEWJYISDSA-N
Compound name
6-dodecyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

404.26752 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.27480 202.4
[M+Na]+ 427.25674 208.2
[M-H]- 403.26024 206.6
[M+NH4]+ 422.30134 212.2
[M+K]+ 443.23068 204.7
[M+H-H2O]+ 387.26478 194.1
[M+HCOO]- 449.26572 218.3
[M+CH3COO]- 463.28137 221.9
[M+Na-2H]- 425.24219 200.0
[M]+ 404.26697 210.3
[M]- 404.26807 210.3
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.