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 159.8
[M+Na]+ 279.14678 170.2
[M-H]- 255.15028 165.0
[M+NH4]+ 274.19138 176.9
[M+K]+ 295.12072 166.2
[M+H-H2O]+ 239.15482 152.1
[M+HCOO]- 301.15576 181.1
[M+CH3COO]- 315.17141 201.1
[M+Na-2H]- 277.13223 159.6
[M]+ 256.15701 163.6
[M]- 256.15811 163.6
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