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]+ 295.16524 168.8
[M+Na]+ 317.14718 176.3
[M-H]- 293.15068 170.8
[M+NH4]+ 312.19178 180.9
[M+K]+ 333.12112 172.0
[M+H-H2O]+ 277.15522 160.9
[M+HCOO]- 339.15616 185.4
[M+CH3COO]- 353.17181 196.4
[M+Na-2H]- 315.13263 168.7
[M]+ 294.15741 169.2
[M]- 294.15851 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.