CID 3057032

Propiophenone, 3-(1-imidazolyl)-2',3',5',6'-tetramethyl-

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC1=CC(=C(C(=C1C)C(=O)CCN2C=CN=C2)C)C
InChI
InChI=1S/C16H20N2O/c1-11-9-12(2)14(4)16(13(11)3)15(19)5-7-18-8-6-17-10-18/h6,8-10H,5,7H2,1-4H3
InChIKey
FUCHRGIODCJPRM-UHFFFAOYSA-N
Compound name
3-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.15756 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 160.5
[M+Na]+ 279.14678 169.9
[M-H]- 255.15028 165.3
[M+NH4]+ 274.19138 177.3
[M+K]+ 295.12072 165.9
[M+H-H2O]+ 239.15482 152.4
[M+HCOO]- 301.15576 181.8
[M+CH3COO]- 315.17141 199.9
[M+Na-2H]- 277.13223 160.9
[M]+ 256.15701 163.8
[M]- 256.15811 163.8
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

No patent data available for this compound.