CID 511589

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

Structural Information

Molecular Formula
C16H14Cl2N2S
SMILES
CC1=CC=C(S1)C(CC2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3
InChI
InChI=1S/C16H14Cl2N2S/c1-11-2-5-16(21-11)15(20-7-6-19-10-20)8-12-3-4-13(17)9-14(12)18/h2-7,9-10,15H,8H2,1H3
InChIKey
MNOLDYLOROIPIH-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-1-(5-methylthiophen-2-yl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.02548 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.03276 176.0
[M+Na]+ 359.01470 188.2
[M-H]- 335.01820 184.2
[M+NH4]+ 354.05930 193.0
[M+K]+ 374.98864 180.8
[M+H-H2O]+ 319.02274 168.7
[M+HCOO]- 381.02368 185.7
[M+CH3COO]- 395.03933 188.0
[M+Na-2H]- 357.00015 172.8
[M]+ 336.02493 183.4
[M]- 336.02603 183.4
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.