CID 52759

2-(1-imidazolyl)-2',3',5',6'-tetramethylacetophenone

Structural Information

Molecular Formula
C15H18N2O
SMILES
CC1=CC(=C(C(=C1C)C(=O)CN2C=CN=C2)C)C
InChI
InChI=1S/C15H18N2O/c1-10-7-11(2)13(4)15(12(10)3)14(18)8-17-6-5-16-9-17/h5-7,9H,8H2,1-4H3
InChIKey
WINCJAORCADCES-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

242.1419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 155.8
[M+Na]+ 265.131118 165.7
[M-H]- 241.134624 160.8
[M+NH4]+ 260.175723 173.2
[M+K]+ 281.105058 161.9
[M+H-H2O]+ 225.139160 148.0
[M+HCOO]- 287.140101 177.5
[M+CH3COO]- 301.155751 196.9
[M+Na-2H]- 263.116566 156.8
[M]+ 242.14135142 158.8
[M]- 242.14244858 158.8
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