CID 469755

6-benzyl-1-(carbamoyl)methyl-5-isopropyluracil

Structural Information

Molecular Formula
C16H19N3O3
SMILES
CC(C)C1=C(N(C(=O)NC1=O)CC(=O)N)CC2=CC=CC=C2
InChI
InChI=1S/C16H19N3O3/c1-10(2)14-12(8-11-6-4-3-5-7-11)19(9-13(17)20)16(22)18-15(14)21/h3-7,10H,8-9H2,1-2H3,(H2,17,20)(H,18,21,22)
InChIKey
DBONWXYADAQWIJ-UHFFFAOYSA-N
Compound name
2-(6-benzyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.14264 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.14992 170.1
[M+Na]+ 324.13186 178.2
[M-H]- 300.13536 173.0
[M+NH4]+ 319.17646 181.3
[M+K]+ 340.10580 173.2
[M+H-H2O]+ 284.13990 161.1
[M+HCOO]- 346.14084 189.1
[M+CH3COO]- 360.15649 206.0
[M+Na-2H]- 322.11731 170.8
[M]+ 301.14209 169.8
[M]- 301.14319 169.8
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.