CID 208320

Uracil, 5-(butylamino)-1,6-dimethyl-3-phenyl-

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CCCCNC1=C(N(C(=O)N(C1=O)C2=CC=CC=C2)C)C
InChI
InChI=1S/C16H21N3O2/c1-4-5-11-17-14-12(2)18(3)16(21)19(15(14)20)13-9-7-6-8-10-13/h6-10,17H,4-5,11H2,1-3H3
InChIKey
KYJJTIBGMAGFPS-UHFFFAOYSA-N
Compound name
5-(butylamino)-1,6-dimethyl-3-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.1634 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.170676 167.6
[M+Na]+ 310.152618 177.5
[M-H]- 286.156124 172.5
[M+NH4]+ 305.197223 181.1
[M+K]+ 326.126558 172.6
[M+H-H2O]+ 270.160660 158.3
[M+HCOO]- 332.161601 190.3
[M+CH3COO]- 346.177251 206.9
[M+Na-2H]- 308.138066 171.3
[M]+ 287.16285142 171.1
[M]- 287.16394858 171.1
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.