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]+ 285.19615 169.4
[M+Na]+ 307.17809 177.7
[M-H]- 283.18159 174.0
[M+NH4]+ 302.22269 185.0
[M+K]+ 323.15203 173.6
[M+H-H2O]+ 267.18613 161.1
[M+HCOO]- 329.18707 189.0
[M+CH3COO]- 343.20272 206.7
[M+Na-2H]- 305.16354 167.6
[M]+ 284.18832 172.9
[M]- 284.18942 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.