CID 167727225

2-[2-(4-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)ethyl]-2,3-dihydro-1h-isoindole-1,3-dione

Structural Information

Molecular Formula
C15H13N3O4
SMILES
CC1=CC(=O)N(C(=O)N1)CCN2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C15H13N3O4/c1-9-8-12(19)17(15(22)16-9)6-7-18-13(20)10-4-2-3-5-11(10)14(18)21/h2-5,8H,6-7H2,1H3,(H,16,22)
InChIKey
ODRCUUBUTVUVHI-UHFFFAOYSA-N
Compound name
2-[2-(6-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl]isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.0906 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.09788 167.9
[M+Na]+ 322.07982 181.8
[M+NH4]+ 317.12442 172.9
[M+K]+ 338.05376 177.9
[M-H]- 298.08332 168.4
[M+Na-2H]- 320.06527 172.1
[M]+ 299.09005 169.7
[M]- 299.09115 169.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.