CID 5274234

5-dec-1-ynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCCCCCCCC#CC1=CN(C(=O)NC1=O)COCCO
InChI
InChI=1S/C17H26N2O4/c1-2-3-4-5-6-7-8-9-10-15-13-19(14-23-12-11-20)17(22)18-16(15)21/h13,20H,2-8,11-12,14H2,1H3,(H,18,21,22)
InChIKey
QCJCGPMYVMIKSE-UHFFFAOYSA-N
Compound name
5-dec-1-ynyl-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.18927 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19655 171.4
[M+Na]+ 345.17849 179.4
[M-H]- 321.18199 167.5
[M+NH4]+ 340.22309 180.5
[M+K]+ 361.15243 174.1
[M+H-H2O]+ 305.18653 157.0
[M+HCOO]- 367.18747 183.5
[M+CH3COO]- 381.20312 208.7
[M+Na-2H]- 343.16394 171.8
[M]+ 322.18872 169.9
[M]- 322.18982 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.