CID 3041249

53727-43-8

Structural Information

Molecular Formula
C17H21N3O2
SMILES
CCC1=C(C(=O)N(C(=O)N1CC=C)C2=CC=CC=C2)N(C)C
InChI
InChI=1S/C17H21N3O2/c1-5-12-19-14(6-2)15(18(3)4)16(21)20(17(19)22)13-10-8-7-9-11-13/h5,7-11H,1,6,12H2,2-4H3
InChIKey
OPBLJFCRIZKLIR-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-6-ethyl-3-phenyl-1-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1634 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.17068 170.7
[M+Na]+ 322.15262 185.5
[M+NH4]+ 317.19722 176.8
[M+K]+ 338.12656 178.2
[M-H]- 298.15612 174.1
[M+Na-2H]- 320.13807 178.2
[M]+ 299.16285 173.7
[M]- 299.16395 173.7
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.