CID 492108

Cf1625

Structural Information

Molecular Formula
C17H20N2O5
SMILES
C#CCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C17H20N2O5/c1-2-3-4-5-6-12-7-11-9-19(17(22)18-16(11)23-12)15-8-13(21)14(10-20)24-15/h1,7,9,13-15,20-21H,3-6,8,10H2/t13-,14+,15+/m0/s1
InChIKey
GTIWKHNSTKDBQK-RRFJBIMHSA-N
Compound name
6-hex-5-ynyl-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

4
References

0
Patents

332.1372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14448 171.5
[M+Na]+ 355.12642 182.8
[M-H]- 331.12992 172.7
[M+NH4]+ 350.17102 181.7
[M+K]+ 371.10036 177.6
[M+H-H2O]+ 315.13446 157.9
[M+HCOO]- 377.13540 182.8
[M+CH3COO]- 391.15105 209.8
[M+Na-2H]- 353.11187 170.7
[M]+ 332.13665 170.5
[M]- 332.13775 170.5
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.