CID 58577

101626-72-6

Structural Information

Molecular Formula
C15H22N2O
SMILES
CC1=CC(=C(C=C1)C(C)(C)C)OCC2=NCCN2
InChI
InChI=1S/C15H22N2O/c1-11-5-6-12(15(2,3)4)13(9-11)18-10-14-16-7-8-17-14/h5-6,9H,7-8,10H2,1-4H3,(H,16,17)
InChIKey
UXQGQCGSAOIAAM-UHFFFAOYSA-N
Compound name
2-[(2-tert-butyl-5-methylphenoxy)methyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.17322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 160.7
[M+Na]+ 269.16244 167.7
[M-H]- 245.16594 163.4
[M+NH4]+ 264.20704 176.9
[M+K]+ 285.13638 163.8
[M+H-H2O]+ 229.17048 153.0
[M+HCOO]- 291.17142 178.6
[M+CH3COO]- 305.18707 192.0
[M+Na-2H]- 267.14789 163.5
[M]+ 246.17267 160.3
[M]- 246.17377 160.3
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.