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 167.6
[M+Na]+ 310.15262 177.5
[M-H]- 286.15612 172.5
[M+NH4]+ 305.19722 181.1
[M+K]+ 326.12656 172.6
[M+H-H2O]+ 270.16066 158.3
[M+HCOO]- 332.16160 190.3
[M+CH3COO]- 346.17725 206.9
[M+Na-2H]- 308.13807 171.3
[M]+ 287.16285 171.1
[M]- 287.16395 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.