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 166.4
[M+Na]+ 322.07982 178.4
[M-H]- 298.08332 170.1
[M+NH4]+ 317.12442 180.1
[M+K]+ 338.05376 172.5
[M+H-H2O]+ 282.08786 157.9
[M+HCOO]- 344.08880 185.3
[M+CH3COO]- 358.10445 201.4
[M+Na-2H]- 320.06527 168.4
[M]+ 299.09005 168.8
[M]- 299.09115 168.8
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.