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

3
Patents

242.1419 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 155.8
[M+Na]+ 265.13112 165.7
[M-H]- 241.13462 160.8
[M+NH4]+ 260.17572 173.2
[M+K]+ 281.10506 161.9
[M+H-H2O]+ 225.13916 148.0
[M+HCOO]- 287.14010 177.5
[M+CH3COO]- 301.15575 196.9
[M+Na-2H]- 263.11657 156.8
[M]+ 242.14135 158.8
[M]- 242.14245 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