CID 3057014

Brn 5079851

Structural Information

Molecular Formula
C17H20N2O
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C(=O)CN3C=CN=C3
InChI
InChI=1S/C17H20N2O/c20-17(12-19-11-10-18-13-19)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h6-11,13-14H,1-5,12H2
InChIKey
YAEMCNDAIHEJGL-UHFFFAOYSA-N
Compound name
1-(4-cyclohexylphenyl)-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

268.15756 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16484 164.0
[M+Na]+ 291.14678 168.2
[M-H]- 267.15028 169.9
[M+NH4]+ 286.19138 178.4
[M+K]+ 307.12072 163.8
[M+H-H2O]+ 251.15482 153.9
[M+HCOO]- 313.15576 181.9
[M+CH3COO]- 327.17141 174.1
[M+Na-2H]- 289.13223 165.0
[M]+ 268.15701 159.4
[M]- 268.15811 159.4
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