CID 506150

3-[(5s)-5-(hydroxymethyl)oxolan-2-yl]-6-(4-butylphenyl)-3-hydrofurano[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C21H24N2O4
SMILES
CCCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)C4CC[C@H](O4)CO
InChI
InChI=1S/C21H24N2O4/c1-2-3-4-14-5-7-15(8-6-14)18-11-16-12-23(21(25)22-20(16)27-18)19-10-9-17(13-24)26-19/h5-8,11-12,17,19,24H,2-4,9-10,13H2,1H3/t17-,19?/m0/s1
InChIKey
RAUDRXVNAXMMLL-KKFHFHRHSA-N
Compound name
6-(4-butylphenyl)-3-[(5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.1736 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 187.1
[M+Na]+ 391.16282 196.2
[M-H]- 367.16632 196.2
[M+NH4]+ 386.20742 198.2
[M+K]+ 407.13676 192.8
[M+H-H2O]+ 351.17086 179.0
[M+HCOO]- 413.17180 205.2
[M+CH3COO]- 427.18745 198.0
[M+Na-2H]- 389.14827 186.9
[M]+ 368.17305 192.3
[M]- 368.17415 192.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.