CID 118564

33872-85-4

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CCN1C(=C(C(=O)N(C1=O)C2=CC=CC=C2)N(CC)CC)C
InChI
InChI=1S/C17H23N3O2/c1-5-18(6-2)15-13(4)19(7-3)17(22)20(16(15)21)14-11-9-8-10-12-14/h8-12H,5-7H2,1-4H3
InChIKey
MZMHSWCIXSDEPD-UHFFFAOYSA-N
Compound name
5-(diethylamino)-1-ethyl-6-methyl-3-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.17902 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 171.7
[M+Na]+ 324.16824 186.5
[M+NH4]+ 319.21284 178.2
[M+K]+ 340.14218 179.3
[M-H]- 300.17174 175.4
[M+Na-2H]- 322.15369 179.3
[M]+ 301.17847 174.8
[M]- 301.17957 174.8
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.