CID 3022223

2-ethyl-1-(2,4,6-trimethylbenzoyl)-1h-imidazole

Structural Information

Molecular Formula
C15H18N2O
SMILES
CCC1=NC=CN1C(=O)C2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C15H18N2O/c1-5-13-16-6-7-17(13)15(18)14-11(3)8-10(2)9-12(14)4/h6-9H,5H2,1-4H3
InChIKey
QLRYDIRQUQZTKB-UHFFFAOYSA-N
Compound name
(2-ethylimidazol-1-yl)-(2,4,6-trimethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

242.1419 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 156.1
[M+Na]+ 265.131118 166.1
[M-H]- 241.134624 161.1
[M+NH4]+ 260.175723 173.6
[M+K]+ 281.105058 162.3
[M+H-H2O]+ 225.139160 148.3
[M+HCOO]- 287.140101 177.8
[M+CH3COO]- 301.155751 196.2
[M+Na-2H]- 263.116566 157.1
[M]+ 242.14135142 159.0
[M]- 242.14244858 159.0
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

patents stripe