CID 3057016

Ethanone, 1-(4-chloro-2,3,5,6-tetramethylphenyl)-2-(1h-imidazol-1-yl)-

Structural Information

Molecular Formula
C15H17ClN2O
SMILES
CC1=C(C(=C(C(=C1C(=O)CN2C=CN=C2)C)C)Cl)C
InChI
InChI=1S/C15H17ClN2O/c1-9-11(3)15(16)12(4)10(2)14(9)13(19)7-18-6-5-17-8-18/h5-6,8H,7H2,1-4H3
InChIKey
JIKQLAOGIDZSAR-UHFFFAOYSA-N
Compound name
1-(4-chloro-2,3,5,6-tetramethylphenyl)-2-imidazol-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

276.10294 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.110216 162.4
[M+Na]+ 299.092158 173.8
[M-H]- 275.095664 167.4
[M+NH4]+ 294.136763 179.4
[M+K]+ 315.066098 168.2
[M+H-H2O]+ 259.100200 155.1
[M+HCOO]- 321.101141 179.2
[M+CH3COO]- 335.116791 201.8
[M+Na-2H]- 297.077606 162.0
[M]+ 276.10239142 167.6
[M]- 276.10348858 167.6
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