CID 127769

101183-99-7

Structural Information

Molecular Formula
C15H14N4O2
SMILES
CCC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)N3C=CN=C3
InChI
InChI=1S/C15H14N4O2/c1-2-12-13(18-15(21)17-12)14(20)10-3-5-11(6-4-10)19-8-7-16-9-19/h3-9H,2H2,1H3,(H2,17,18,21)
InChIKey
FIYSLYBKJKWZMC-UHFFFAOYSA-N
Compound name
4-ethyl-5-(4-imidazol-1-ylbenzoyl)-1,3-dihydroimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9
Patents

282.11166 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11894 163.8
[M+Na]+ 305.10088 177.1
[M+NH4]+ 300.14548 169.0
[M+K]+ 321.07482 175.5
[M-H]- 281.10438 165.2
[M+Na-2H]- 303.08633 171.4
[M]+ 282.11111 165.8
[M]- 282.11221 165.8
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

patents stripe