CID 492104

Cf1657

Structural Information

Molecular Formula
C17H22N2O5
SMILES
C=CCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C17H22N2O5/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/h2,7,9,13-15,20-21H,1,3-6,8,10H2/t13-,14+,15+/m0/s1
InChIKey
VAWRVWRQYMVPEH-RRFJBIMHSA-N
Compound name
6-hex-5-enyl-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

334.15286 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16014 177.3
[M+Na]+ 357.14208 186.4
[M-H]- 333.14558 181.8
[M+NH4]+ 352.18668 189.5
[M+K]+ 373.11602 183.5
[M+H-H2O]+ 317.15012 170.7
[M+HCOO]- 379.15106 194.2
[M+CH3COO]- 393.16671 205.1
[M+Na-2H]- 355.12753 177.3
[M]+ 334.15231 182.7
[M]- 334.15341 182.7
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.