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]+ 323.196546 171.4
[M+Na]+ 345.178488 179.4
[M-H]- 321.181994 167.5
[M+NH4]+ 340.223093 180.5
[M+K]+ 361.152428 174.1
[M+H-H2O]+ 305.186530 157.0
[M+HCOO]- 367.187471 183.5
[M+CH3COO]- 381.203121 208.7
[M+Na-2H]- 343.163936 171.8
[M]+ 322.18872142 169.9
[M]- 322.18981858 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.