CID 493475

Cf1449

Structural Information

Molecular Formula
C23H36N2O5
SMILES
CCCCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C23H36N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-17-15-25(23(28)24-22(17)29-18)21-14-19(27)20(16-26)30-21/h13,15,19-21,26-27H,2-12,14,16H2,1H3/t19-,20+,21+/m0/s1
InChIKey
TVRKQWFWACVJGU-PWRODBHTSA-N
Compound name
6-dodecyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

420.26242 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.26970 205.3
[M+Na]+ 443.25164 211.2
[M-H]- 419.25514 208.6
[M+NH4]+ 438.29624 213.9
[M+K]+ 459.22558 207.6
[M+H-H2O]+ 403.25968 197.4
[M+HCOO]- 465.26062 219.8
[M+CH3COO]- 479.27627 223.2
[M+Na-2H]- 441.23709 202.1
[M]+ 420.26187 213.2
[M]- 420.26297 213.2
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.