CID 3007810

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

Structural Information

Molecular Formula
C22H34N2O4
SMILES
CCCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C22H34N2O4/c1-2-3-4-5-6-7-8-9-10-11-18-14-17-15-24(22(26)23-21(17)28-18)20-13-12-19(16-25)27-20/h14-15,19-20,25H,2-13,16H2,1H3/t19-,20+/m0/s1
InChIKey
NKDCMZADFGXLPK-VQTJNVASSA-N
Compound name
3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6-undecylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.25186 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.25914 197.9
[M+Na]+ 413.24108 204.2
[M-H]- 389.24458 202.3
[M+NH4]+ 408.28568 208.3
[M+K]+ 429.21502 200.9
[M+H-H2O]+ 373.24912 189.7
[M+HCOO]- 435.25006 214.2
[M+CH3COO]- 449.26571 219.0
[M+Na-2H]- 411.22653 196.0
[M]+ 390.25131 205.5
[M]- 390.25241 205.5
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.