CID 3057030

73932-50-0

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC1=CC(=C(C(=C1C)C(=O)C(C)N2C=CN=C2)C)C
InChI
InChI=1S/C16H20N2O/c1-10-8-11(2)13(4)15(12(10)3)16(19)14(5)18-7-6-17-9-18/h6-9,14H,1-5H3
InChIKey
YYYCBFUSYDLPBA-UHFFFAOYSA-N
Compound name
2-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

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 161.7
[M+Na]+ 279.14678 175.1
[M+NH4]+ 274.19138 169.0
[M+K]+ 295.12072 170.6
[M-H]- 255.15028 164.2
[M+Na-2H]- 277.13223 167.9
[M]+ 256.15701 164.3
[M]- 256.15811 164.3
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.