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]+ 230.09241 148.5
[M+Na]+ 252.07435 159.1
[M-H]- 228.07785 151.6
[M+NH4]+ 247.11895 164.7
[M+K]+ 268.04829 153.7
[M+H-H2O]+ 212.08239 139.9
[M+HCOO]- 274.08333 168.0
[M+CH3COO]- 288.09898 160.9
[M+Na-2H]- 250.05980 154.1
[M]+ 229.08458 147.4
[M]- 229.08568 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.