CID 3055611

72649-87-7

Structural Information

Molecular Formula
C14H20N2
SMILES
CC1=CC(=C(C(=C1C)CC2=NCCN2)C)C
InChI
InChI=1S/C14H20N2/c1-9-7-10(2)12(4)13(11(9)3)8-14-15-5-6-16-14/h7H,5-6,8H2,1-4H3,(H,15,16)
InChIKey
RRCGXPYFQWDTRF-UHFFFAOYSA-N
Compound name
2-[(2,3,5,6-tetramethylphenyl)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

216.16264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.16992 151.6
[M+Na]+ 239.15186 160.7
[M-H]- 215.15536 154.9
[M+NH4]+ 234.19646 169.6
[M+K]+ 255.12580 156.0
[M+H-H2O]+ 199.15990 144.2
[M+HCOO]- 261.16084 171.3
[M+CH3COO]- 275.17649 189.6
[M+Na-2H]- 237.13731 152.8
[M]+ 216.16209 150.9
[M]- 216.16319 150.9
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