CID 475893

5-(3,5-dichloro-benzyl)-1-ethoxymethyl-4-isopropyl-2-methyl-1h-imidazole

Structural Information

Molecular Formula
C17H22Cl2N2O
SMILES
CCOCN1C(=NC(=C1CC2=CC(=CC(=C2)Cl)Cl)C(C)C)C
InChI
InChI=1S/C17H22Cl2N2O/c1-5-22-10-21-12(4)20-17(11(2)3)16(21)8-13-6-14(18)9-15(19)7-13/h6-7,9,11H,5,8,10H2,1-4H3
InChIKey
FJZSGYYKZURUBC-UHFFFAOYSA-N
Compound name
5-[(3,5-dichlorophenyl)methyl]-1-(ethoxymethyl)-2-methyl-4-propan-2-ylimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.11093 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.11821 178.9
[M+Na]+ 363.10015 189.4
[M-H]- 339.10365 182.6
[M+NH4]+ 358.14475 193.8
[M+K]+ 379.07409 182.7
[M+H-H2O]+ 323.10819 171.3
[M+HCOO]- 385.10913 189.6
[M+CH3COO]- 399.12478 212.6
[M+Na-2H]- 361.08560 176.7
[M]+ 340.11038 186.5
[M]- 340.11148 186.5
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.