CID 114985

Schembl9647782

Structural Information

Molecular Formula
C19H24N2
SMILES
CC(=CCCC(=CC1=CN=CN1CC2=CC=CC=C2)C)C
InChI
InChI=1S/C19H24N2/c1-16(2)8-7-9-17(3)12-19-13-20-15-21(19)14-18-10-5-4-6-11-18/h4-6,8,10-13,15H,7,9,14H2,1-3H3
InChIKey
JLGZMQRNESBDEI-UHFFFAOYSA-N
Compound name
1-benzyl-5-(2,6-dimethylhepta-1,5-dienyl)imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

280.19394 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.201216 171.7
[M+Na]+ 303.183158 177.3
[M-H]- 279.186664 175.0
[M+NH4]+ 298.227763 186.6
[M+K]+ 319.157098 171.8
[M+H-H2O]+ 263.191200 162.5
[M+HCOO]- 325.192141 191.0
[M+CH3COO]- 339.207791 202.0
[M+Na-2H]- 301.168606 171.4
[M]+ 280.19339142 172.0
[M]- 280.19448858 172.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe