CID 208428

Uracil, 3-allyl-5-(dimethylamino)-6-methyl-1-phenyl-

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]+ 286.155016 165.2
[M+Na]+ 308.136958 175.6
[M-H]- 284.140464 171.6
[M+NH4]+ 303.181563 179.3
[M+K]+ 324.110898 171.4
[M+H-H2O]+ 268.145000 155.9
[M+HCOO]- 330.145941 188.6
[M+CH3COO]- 344.161591 209.4
[M+Na-2H]- 306.122406 168.3
[M]+ 285.14719142 169.2
[M]- 285.14828858 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.