CID 328820

28824-91-1

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC1=C(N=C(N1)C2=CC=CC=C2)C(=O)C
InChI
InChI=1S/C12H12N2O/c1-8-11(9(2)15)14-12(13-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,13,14)
InChIKey
RAFHDKLDMHYNOT-UHFFFAOYSA-N
Compound name
1-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

200.09496 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 144.8
[M+Na]+ 223.08418 158.1
[M+NH4]+ 218.12878 152.5
[M+K]+ 239.05812 153.6
[M-H]- 199.08768 146.9
[M+Na-2H]- 221.06963 152.2
[M]+ 200.09441 147.1
[M]- 200.09551 147.1
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