CID 3055619

2-(pentamethylbenzyl)imidazoline hydrochloride

Structural Information

Molecular Formula
C15H22N2
SMILES
CC1=C(C(=C(C(=C1C)C)CC2=NCCN2)C)C
InChI
InChI=1S/C15H22N2/c1-9-10(2)12(4)14(13(5)11(9)3)8-15-16-6-7-17-15/h6-8H2,1-5H3,(H,16,17)
InChIKey
ODYNDOVGULLNLJ-UHFFFAOYSA-N
Compound name
2-[(2,3,4,5,6-pentamethylphenyl)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

230.1783 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.18558 155.9
[M+Na]+ 253.16752 165.4
[M-H]- 229.17102 159.4
[M+NH4]+ 248.21212 173.5
[M+K]+ 269.14146 160.4
[M+H-H2O]+ 213.17556 148.6
[M+HCOO]- 275.17650 175.2
[M+CH3COO]- 289.19215 193.8
[M+Na-2H]- 251.15297 155.8
[M]+ 230.17775 155.9
[M]- 230.17885 155.9
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

patents stripe