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]+ 271.180496 164.7
[M+Na]+ 293.162438 174.1
[M-H]- 269.165944 169.8
[M+NH4]+ 288.207043 181.1
[M+K]+ 309.136378 170.4
[M+H-H2O]+ 253.170480 157.3
[M+HCOO]- 315.171421 184.1
[M+CH3COO]- 329.187071 203.3
[M+Na-2H]- 291.147886 165.6
[M]+ 270.17267142 168.0
[M]- 270.17376858 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.