CID 469757

6-benzyl-1-[4-(carbamoyl)butyl]-5-isopropyluracil

Structural Information

Molecular Formula
C19H25N3O3
SMILES
CC(C)C1=C(N(C(=O)NC1=O)CCCCC(=O)N)CC2=CC=CC=C2
InChI
InChI=1S/C19H25N3O3/c1-13(2)17-15(12-14-8-4-3-5-9-14)22(19(25)21-18(17)24)11-7-6-10-16(20)23/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H2,20,23)(H,21,24,25)
InChIKey
PGEIIJUNLCRSHB-UHFFFAOYSA-N
Compound name
5-(6-benzyl-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.1896 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.19688 183.4
[M+Na]+ 366.17882 190.2
[M-H]- 342.18232 185.7
[M+NH4]+ 361.22342 192.9
[M+K]+ 382.15276 184.6
[M+H-H2O]+ 326.18686 173.8
[M+HCOO]- 388.18780 201.4
[M+CH3COO]- 402.20345 214.9
[M+Na-2H]- 364.16427 182.6
[M]+ 343.18905 184.2
[M]- 343.19015 184.2
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.