CID 460918

Chembl93767

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CCCCN1C(=C(C(=O)NC1=O)C(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C18H24N2O2/c1-4-5-11-20-15(12-14-9-7-6-8-10-14)16(13(2)3)17(21)19-18(20)22/h6-10,13H,4-5,11-12H2,1-3H3,(H,19,21,22)
InChIKey
XQBUZEFBJZRXPO-UHFFFAOYSA-N
Compound name
6-benzyl-1-butyl-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.18378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 172.2
[M+Na]+ 323.17300 180.5
[M-H]- 299.17650 175.1
[M+NH4]+ 318.21760 184.4
[M+K]+ 339.14694 174.8
[M+H-H2O]+ 283.18104 163.1
[M+HCOO]- 345.18198 190.7
[M+CH3COO]- 359.19763 205.0
[M+Na-2H]- 321.15845 173.6
[M]+ 300.18323 174.2
[M]- 300.18433 174.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.