CID 469754

6-benzyl-1-(3-hydroxypropyl)-5-isopropyl-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CC(C)C1=C(N(C(=O)NC1=O)CCCO)CC2=CC=CC=C2
InChI
InChI=1S/C17H22N2O3/c1-12(2)15-14(11-13-7-4-3-5-8-13)19(9-6-10-20)17(22)18-16(15)21/h3-5,7-8,12,20H,6,9-11H2,1-2H3,(H,18,21,22)
InChIKey
LRMWGJPWWLXDLQ-UHFFFAOYSA-N
Compound name
6-benzyl-1-(3-hydroxypropyl)-5-propan-2-ylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.16306 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 171.4
[M+Na]+ 325.15228 179.5
[M-H]- 301.15578 173.1
[M+NH4]+ 320.19688 182.7
[M+K]+ 341.12622 173.9
[M+H-H2O]+ 285.16032 162.6
[M+HCOO]- 347.16126 189.0
[M+CH3COO]- 361.17691 201.8
[M+Na-2H]- 323.13773 172.9
[M]+ 302.16251 172.7
[M]- 302.16361 172.7
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.