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 169.8
[M+Na]+ 322.15262 179.7
[M-H]- 298.15612 176.0
[M+NH4]+ 317.19722 183.3
[M+K]+ 338.12656 175.4
[M+H-H2O]+ 282.16066 160.3
[M+HCOO]- 344.16160 192.9
[M+CH3COO]- 358.17725 212.4
[M+Na-2H]- 320.13807 172.4
[M]+ 299.16285 174.2
[M]- 299.16395 174.2
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.