CID 511683

6-(3-[1,3]dioxolan-2-yl-propyl)-3-((2r,4s,5r)-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-3h-furo[2,3]pyrimidin-2-one

Structural Information

Molecular Formula
C17H22N2O7
SMILES
C1COC(O1)CCCC2=CC3=CN(C(=O)N=C3O2)[C@H]4C[C@@H]([C@H](O4)CO)O
InChI
InChI=1S/C17H22N2O7/c20-9-13-12(21)7-14(26-13)19-8-10-6-11(25-16(10)18-17(19)22)2-1-3-15-23-4-5-24-15/h6,8,12-15,20-21H,1-5,7,9H2/t12-,13+,14+/m0/s1
InChIKey
JVNJWYVZZYDLOM-BFHYXJOUSA-N
Compound name
6-[3-(1,3-dioxolan-2-yl)propyl]-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

1
References

0
Patents

366.1427 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.14998 179.7
[M+Na]+ 389.13192 187.2
[M-H]- 365.13542 188.7
[M+NH4]+ 384.17652 189.0
[M+K]+ 405.10586 188.2
[M+H-H2O]+ 349.13996 175.4
[M+HCOO]- 411.14090 194.0
[M+CH3COO]- 425.15655 190.4
[M+Na-2H]- 387.11737 178.2
[M]+ 366.14215 185.5
[M]- 366.14325 185.5
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.