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

3
Patents

276.10294 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.11022 162.4
[M+Na]+ 299.09216 173.8
[M-H]- 275.09566 167.4
[M+NH4]+ 294.13676 179.4
[M+K]+ 315.06610 168.2
[M+H-H2O]+ 259.10020 155.1
[M+HCOO]- 321.10114 179.2
[M+CH3COO]- 335.11679 201.8
[M+Na-2H]- 297.07761 162.0
[M]+ 276.10239 167.6
[M]- 276.10349 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