CID 511588

1-[2-(4-chlorophenyl)-1-(5-methyl-2-thienyl)ethyl]imidazole

Structural Information

Molecular Formula
C16H15ClN2S
SMILES
CC1=CC=C(S1)C(CC2=CC=C(C=C2)Cl)N3C=CN=C3
InChI
InChI=1S/C16H15ClN2S/c1-12-2-7-16(20-12)15(19-9-8-18-11-19)10-13-3-5-14(17)6-4-13/h2-9,11,15H,10H2,1H3
InChIKey
HOTTZBDBTFKOAU-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)-1-(5-methylthiophen-2-yl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.06445 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.07173 168.9
[M+Na]+ 325.05367 180.2
[M-H]- 301.05717 177.6
[M+NH4]+ 320.09827 186.7
[M+K]+ 341.02761 173.8
[M+H-H2O]+ 285.06171 161.3
[M+HCOO]- 347.06265 184.0
[M+CH3COO]- 361.07830 181.6
[M+Na-2H]- 323.03912 167.3
[M]+ 302.06390 175.0
[M]- 302.06500 175.0
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.