CID 15957830

Omkgmdluispkrt-uhfffaoysa-n

Structural Information

Molecular Formula
C19H24N2O4
SMILES
CCC(=O)CN1C(=C(C(=O)NC1=O)C(C)C)OC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C19H24N2O4/c1-6-14(22)10-21-18(16(11(2)3)17(23)20-19(21)24)25-15-8-12(4)7-13(5)9-15/h7-9,11H,6,10H2,1-5H3,(H,20,23,24)
InChIKey
OMKGMDLUISPKRT-UHFFFAOYSA-N
Compound name
6-(3,5-dimethylphenoxy)-1-(2-oxobutyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

344.1736 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.18088 179.8
[M+Na]+ 367.16282 189.1
[M-H]- 343.16632 183.5
[M+NH4]+ 362.20742 190.4
[M+K]+ 383.13676 184.7
[M+H-H2O]+ 327.17086 170.9
[M+HCOO]- 389.17180 197.5
[M+CH3COO]- 403.18745 215.1
[M+Na-2H]- 365.14827 178.4
[M]+ 344.17305 184.6
[M]- 344.17415 184.6
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

patents stripe