CID 83383482

1-(1-methyl-5-phenyl-1h-imidazol-2-yl)ethan-1-one

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC(=O)C1=NC=C(N1C)C2=CC=CC=C2
InChI
InChI=1S/C12H12N2O/c1-9(15)12-13-8-11(14(12)2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey
CPZRUVUCDAEGGV-UHFFFAOYSA-N
Compound name
1-(1-methyl-5-phenylimidazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.09496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 142.9
[M+Na]+ 223.08418 152.2
[M-H]- 199.08768 147.6
[M+NH4]+ 218.12878 161.3
[M+K]+ 239.05812 149.1
[M+H-H2O]+ 183.09222 135.0
[M+HCOO]- 245.09316 165.6
[M+CH3COO]- 259.10881 185.6
[M+Na-2H]- 221.06963 146.9
[M]+ 200.09441 144.0
[M]- 200.09551 144.0
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.