CID 3009146

1-[2-(2,4-dichlorophenyl)-2-isopentyloxy-ethyl]imidazole

Structural Information

Molecular Formula
C16H20Cl2N2O
SMILES
CC(C)CCOC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H20Cl2N2O/c1-12(2)5-8-21-16(10-20-7-6-19-11-20)14-4-3-13(17)9-15(14)18/h3-4,6-7,9,11-12,16H,5,8,10H2,1-2H3
InChIKey
WAQYEWOIMLOHFL-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(3-methylbutoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.09528 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10256 174.5
[M+Na]+ 349.08450 182.4
[M-H]- 325.08800 177.4
[M+NH4]+ 344.12910 188.9
[M+K]+ 365.05844 176.3
[M+H-H2O]+ 309.09254 166.2
[M+HCOO]- 371.09348 184.6
[M+CH3COO]- 385.10913 207.0
[M+Na-2H]- 347.06995 173.8
[M]+ 326.09473 180.0
[M]- 326.09583 180.0
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.