CID 4529168

2,4(1h,3h)-pyrimidinedione, 5-methyl-1-[[2-(4-methylphenoxy)ethoxy]methyl]-

Structural Information

Molecular Formula
C15H18N2O4
SMILES
CC1=CC=C(C=C1)OCCOCN2C=C(C(=O)NC2=O)C
InChI
InChI=1S/C15H18N2O4/c1-11-3-5-13(6-4-11)21-8-7-20-10-17-9-12(2)14(18)16-15(17)19/h3-6,9H,7-8,10H2,1-2H3,(H,16,18,19)
InChIKey
DWFJDBQVDBDFHG-UHFFFAOYSA-N
Compound name
5-methyl-1-[2-(4-methylphenoxy)ethoxymethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.12665 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.13393 164.8
[M+Na]+ 313.11587 174.4
[M-H]- 289.11937 168.2
[M+NH4]+ 308.16047 177.3
[M+K]+ 329.08981 170.1
[M+H-H2O]+ 273.12391 155.7
[M+HCOO]- 335.12485 185.8
[M+CH3COO]- 349.14050 199.4
[M+Na-2H]- 311.10132 169.0
[M]+ 290.12610 169.2
[M]- 290.12720 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.