CID 3057031

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

Structural Information

Molecular Formula
C17H22N2O
SMILES
CC1=CC(=C(C(=C1C)C(=O)C(C)(C)N2C=CN=C2)C)C
InChI
InChI=1S/C17H22N2O/c1-11-9-12(2)14(4)15(13(11)3)16(20)17(5,6)19-8-7-18-10-19/h7-10H,1-6H3
InChIKey
BKGDGJVFGGYJTO-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-2-methyl-1-(2,3,5,6-tetramethylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.17322 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 164.7
[M+Na]+ 293.16244 174.1
[M-H]- 269.16594 169.8
[M+NH4]+ 288.20704 181.1
[M+K]+ 309.13638 170.4
[M+H-H2O]+ 253.17048 157.3
[M+HCOO]- 315.17142 184.1
[M+CH3COO]- 329.18707 203.3
[M+Na-2H]- 291.14789 165.6
[M]+ 270.17267 168.0
[M]- 270.17377 168.0
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.