CID 3009149

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

Structural Information

Molecular Formula
C17H22Cl2N2O
SMILES
CCC(CC)COC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H22Cl2N2O/c1-3-13(4-2)11-22-17(10-21-8-7-20-12-21)15-6-5-14(18)9-16(15)19/h5-9,12-13,17H,3-4,10-11H2,1-2H3
InChIKey
CZISJJYXLMIUGN-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(2-ethylbutoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.11093 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11821 179.1
[M+Na]+ 363.10015 186.5
[M-H]- 339.10365 181.8
[M+NH4]+ 358.14475 192.9
[M+K]+ 379.07409 180.2
[M+H-H2O]+ 323.10819 170.5
[M+HCOO]- 385.10913 188.9
[M+CH3COO]- 399.12478 209.9
[M+Na-2H]- 361.08560 177.8
[M]+ 340.11038 184.9
[M]- 340.11148 184.9
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

No patent data available for this compound.