CID 3009150

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

Structural Information

Molecular Formula
C18H22Cl2N2O
SMILES
C1CCC(CC1)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H22Cl2N2O/c19-15-6-7-16(17(20)10-15)18(11-22-9-8-21-13-22)23-12-14-4-2-1-3-5-14/h6-10,13-14,18H,1-5,11-12H2
InChIKey
XDEGQVCISNBOGK-UHFFFAOYSA-N
Compound name
1-[2-(cyclohexylmethoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

352.11093 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11821 182.8
[M+Na]+ 375.10015 188.3
[M-H]- 351.10365 187.6
[M+NH4]+ 370.14475 195.4
[M+K]+ 391.07409 181.4
[M+H-H2O]+ 335.10819 172.8
[M+HCOO]- 397.10913 190.2
[M+CH3COO]- 411.12478 191.3
[M+Na-2H]- 373.08560 181.1
[M]+ 352.11038 182.9
[M]- 352.11148 182.9
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