CID 208428

Brn 0755011

Structural Information

Molecular Formula
C16H19N3O2
SMILES
CC1=C(C(=O)N(C(=O)N1C2=CC=CC=C2)CC=C)N(C)C
InChI
InChI=1S/C16H19N3O2/c1-5-11-18-15(20)14(17(3)4)12(2)19(16(18)21)13-9-7-6-8-10-13/h5-10H,1,11H2,2-4H3
InChIKey
IDKUACLJPBLSHH-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-6-methyl-1-phenyl-3-prop-2-enylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.14774 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15502 165.2
[M+Na]+ 308.13696 175.6
[M-H]- 284.14046 171.6
[M+NH4]+ 303.18156 179.3
[M+K]+ 324.11090 171.4
[M+H-H2O]+ 268.14500 155.9
[M+HCOO]- 330.14594 188.6
[M+CH3COO]- 344.16159 209.4
[M+Na-2H]- 306.12241 168.3
[M]+ 285.14719 169.2
[M]- 285.14829 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

literature stripe

Patent stripe

No patent data available for this compound.