CID 4305284

1,2,3,5,6,7-hexahydro-6-phenylimidazo(1,2-c)pyrimidine-5,7-dione

Structural Information

Molecular Formula
C12H11N3O2
SMILES
C1CN2C(=CC(=O)N(C2=O)C3=CC=CC=C3)N1
InChI
InChI=1S/C12H11N3O2/c16-11-8-10-13-6-7-14(10)12(17)15(11)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2
InChIKey
XEFUXDIPGAFJHA-UHFFFAOYSA-N
Compound name
6-phenyl-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.08513 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.092406 148.5
[M+Na]+ 252.074348 159.1
[M-H]- 228.077854 151.6
[M+NH4]+ 247.118953 164.7
[M+K]+ 268.048288 153.7
[M+H-H2O]+ 212.082390 139.9
[M+HCOO]- 274.083331 168.0
[M+CH3COO]- 288.098981 160.9
[M+Na-2H]- 250.059796 154.1
[M]+ 229.08458142 147.4
[M]- 229.08567858 147.4
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.