CID 5274000

5-[(e)-hex-1-enyl]-1-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CCCC/C=C/C1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C15H22N2O4/c1-2-3-4-5-6-11-9-17(15(20)16-14(11)19)13-8-7-12(10-18)21-13/h5-6,9,12-13,18H,2-4,7-8,10H2,1H3,(H,16,19,20)/b6-5+/t12-,13+/m0/s1
InChIKey
LQQMTVVYQHSTTC-JQSFKPKSSA-N
Compound name
5-[(E)-hex-1-enyl]-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15796 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.165236 168.8
[M+Na]+ 317.147178 176.3
[M-H]- 293.150684 170.8
[M+NH4]+ 312.191783 180.9
[M+K]+ 333.121118 172.0
[M+H-H2O]+ 277.155220 160.9
[M+HCOO]- 339.156161 185.4
[M+CH3COO]- 353.171811 196.4
[M+Na-2H]- 315.132626 168.7
[M]+ 294.15741142 169.2
[M]- 294.15850858 169.2
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.