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]+ 391.259136 197.9
[M+Na]+ 413.241078 204.2
[M-H]- 389.244584 202.3
[M+NH4]+ 408.285683 208.3
[M+K]+ 429.215018 200.9
[M+H-H2O]+ 373.249120 189.7
[M+HCOO]- 435.250061 214.2
[M+CH3COO]- 449.265711 219.0
[M+Na-2H]- 411.226526 196.0
[M]+ 390.25131142 205.5
[M]- 390.25240858 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.