CID 5274240

5-dec-1-ynyl-1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H28N2O4
SMILES
CCCCCCCCC#CC1=CN(C(=O)NC1=O)CC=C(CO)CO
InChI
InChI=1S/C19H28N2O4/c1-2-3-4-5-6-7-8-9-10-17-13-21(19(25)20-18(17)24)12-11-16(14-22)15-23/h11,13,22-23H,2-8,12,14-15H2,1H3,(H,20,24,25)
InChIKey
OZJIFERQTFOTPN-UHFFFAOYSA-N
Compound name
5-dec-1-ynyl-1-[4-hydroxy-3-(hydroxymethyl)but-2-enyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.2049 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.21218 181.9
[M+Na]+ 371.19412 188.9
[M-H]- 347.19762 176.7
[M+NH4]+ 366.23872 189.4
[M+K]+ 387.16806 182.4
[M+H-H2O]+ 331.20216 167.7
[M+HCOO]- 393.20310 191.3
[M+CH3COO]- 407.21875 211.5
[M+Na-2H]- 369.17957 179.6
[M]+ 348.20435 178.1
[M]- 348.20545 178.1
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.