CID 506149

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

Structural Information

Molecular Formula
C20H22N2O4
SMILES
CCCC1=CC=C(C=C1)C2=CC3=CN(C(=O)N=C3O2)C4CC[C@H](O4)CO
InChI
InChI=1S/C20H22N2O4/c1-2-3-13-4-6-14(7-5-13)17-10-15-11-22(20(24)21-19(15)26-17)18-9-8-16(12-23)25-18/h4-7,10-11,16,18,23H,2-3,8-9,12H2,1H3/t16-,18?/m0/s1
InChIKey
CTCGDXCVRGQZDK-ATNAJCNCSA-N
Compound name
3-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-6-(4-propylphenyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.15796 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.16524 182.6
[M+Na]+ 377.14718 192.1
[M-H]- 353.15068 191.8
[M+NH4]+ 372.19178 194.2
[M+K]+ 393.12112 188.9
[M+H-H2O]+ 337.15522 174.6
[M+HCOO]- 399.15616 200.9
[M+CH3COO]- 413.17181 193.9
[M+Na-2H]- 375.13263 182.8
[M]+ 354.15741 187.5
[M]- 354.15851 187.5
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.