CID 3057037

73932-57-7

Structural Information

Molecular Formula
C18H24N2O
SMILES
CCCC(C(=O)C1=C(C(=CC(=C1C)C)C)C)N2C=CN=C2
InChI
InChI=1S/C18H24N2O/c1-6-7-16(20-9-8-19-11-20)18(21)17-14(4)12(2)10-13(3)15(17)5/h8-11,16H,6-7H2,1-5H3
InChIKey
SIJJDIBXIVICNM-UHFFFAOYSA-N
Compound name
2-imidazol-1-yl-1-(2,3,5,6-tetramethylphenyl)pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.18887 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.196146 169.4
[M+Na]+ 307.178088 177.7
[M-H]- 283.181594 174.0
[M+NH4]+ 302.222693 185.0
[M+K]+ 323.152028 173.6
[M+H-H2O]+ 267.186130 161.1
[M+HCOO]- 329.187071 189.0
[M+CH3COO]- 343.202721 206.7
[M+Na-2H]- 305.163536 167.6
[M]+ 284.18832142 172.9
[M]- 284.18941858 172.9
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.