CID 52760

73931-91-6

Structural Information

Molecular Formula
C16H20N2O
SMILES
CC1=C(C(=C(C(=C1C)C)C(=O)CN2C=CN=C2)C)C
InChI
InChI=1S/C16H20N2O/c1-10-11(2)13(4)16(14(5)12(10)3)15(19)8-18-7-6-17-9-18/h6-7,9H,8H2,1-5H3
InChIKey
LQYIHXOXOZEQDM-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

256.15756 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.16484 162.0
[M+Na]+ 279.14678 176.2
[M+NH4]+ 274.19138 169.4
[M+K]+ 295.12072 171.0
[M-H]- 255.15028 164.8
[M+Na-2H]- 277.13223 168.3
[M]+ 256.15701 164.8
[M]- 256.15811 164.8
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