CID 208320

31991-98-7

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]+ 288.17068 168.2
[M+Na]+ 310.15262 182.9
[M+NH4]+ 305.19722 174.5
[M+K]+ 326.12656 175.4
[M-H]- 286.15612 171.5
[M+Na-2H]- 308.13807 175.7
[M]+ 287.16285 171.2
[M]- 287.16395 171.2
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.