CID 469756

6-benzyl-1-[3-(carbamoyl)propyl]-5-isopropyluracil

Structural Information

Molecular Formula
C18H23N3O3
SMILES
CC(C)C1=C(N(C(=O)NC1=O)CCCC(=O)N)CC2=CC=CC=C2
InChI
InChI=1S/C18H23N3O3/c1-12(2)16-14(11-13-7-4-3-5-8-13)21(10-6-9-15(19)22)18(24)20-17(16)23/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,19,22)(H,20,23,24)
InChIKey
HAWJSSVHQOPFPS-UHFFFAOYSA-N
Compound name
4-(6-benzyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.17395 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18123 179.0
[M+Na]+ 352.16317 186.2
[M-H]- 328.16667 181.5
[M+NH4]+ 347.20777 189.1
[M+K]+ 368.13711 180.8
[M+H-H2O]+ 312.17121 169.6
[M+HCOO]- 374.17215 197.3
[M+CH3COO]- 388.18780 211.9
[M+Na-2H]- 350.14862 178.7
[M]+ 329.17340 179.4
[M]- 329.17450 179.4
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.