CID 3054923

71821-29-9

Structural Information

Molecular Formula
C18H22Cl2N2OS
SMILES
C1CCC(CC1)SCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H22Cl2N2OS/c19-14-6-7-16(17(20)10-14)18(11-22-9-8-21-12-22)23-13-24-15-4-2-1-3-5-15/h6-10,12,15,18H,1-5,11,13H2
InChIKey
USZZUHXARDQYSB-UHFFFAOYSA-N
Compound name
1-[2-(cyclohexylsulfanylmethoxy)-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.08298 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.09026 187.0
[M+Na]+ 407.07220 193.0
[M-H]- 383.07570 192.5
[M+NH4]+ 402.11680 199.4
[M+K]+ 423.04614 186.2
[M+H-H2O]+ 367.08024 178.4
[M+HCOO]- 429.08118 190.0
[M+CH3COO]- 443.09683 195.4
[M+Na-2H]- 405.05765 183.2
[M]+ 384.08243 189.5
[M]- 384.08353 189.5
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.