CID 52889

2-imidazoline, 4,4-dimethyl-2-nonyl-1-phenyl-

Structural Information

Molecular Formula
C20H32N2
SMILES
CCCCCCCCCC1=NC(CN1C2=CC=CC=C2)(C)C
InChI
InChI=1S/C20H32N2/c1-4-5-6-7-8-9-13-16-19-21-20(2,3)17-22(19)18-14-11-10-12-15-18/h10-12,14-15H,4-9,13,16-17H2,1-3H3
InChIKey
WXPQGTJXMUKMFT-UHFFFAOYSA-N
Compound name
5,5-dimethyl-2-nonyl-3-phenyl-4H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.25656 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.26384 176.9
[M+Na]+ 323.24578 182.7
[M-H]- 299.24928 179.9
[M+NH4]+ 318.29038 193.4
[M+K]+ 339.21972 177.7
[M+H-H2O]+ 283.25382 167.8
[M+HCOO]- 345.25476 196.1
[M+CH3COO]- 359.27041 207.3
[M+Na-2H]- 321.23123 177.8
[M]+ 300.25601 179.5
[M]- 300.25711 179.5
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.