CID 469758

6-benzyl-1-[5-(carbamoyl)pentyl]-5-isopropyluracil

Structural Information

Molecular Formula
C20H27N3O3
SMILES
CC(C)C1=C(N(C(=O)NC1=O)CCCCCC(=O)N)CC2=CC=CC=C2
InChI
InChI=1S/C20H27N3O3/c1-14(2)18-16(13-15-9-5-3-6-10-15)23(20(26)22-19(18)25)12-8-4-7-11-17(21)24/h3,5-6,9-10,14H,4,7-8,11-13H2,1-2H3,(H2,21,24)(H,22,25,26)
InChIKey
DOEAVOKXKOIETP-UHFFFAOYSA-N
Compound name
6-(6-benzyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

357.20523 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.21251 187.8
[M+Na]+ 380.19445 194.1
[M-H]- 356.19795 189.9
[M+NH4]+ 375.23905 196.7
[M+K]+ 396.16839 188.3
[M+H-H2O]+ 340.20249 178.1
[M+HCOO]- 402.20343 205.5
[M+CH3COO]- 416.21908 217.9
[M+Na-2H]- 378.17990 186.5
[M]+ 357.20468 188.9
[M]- 357.20578 188.9
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.