CID 473920

1-[5-(3,5-dichlorophenyl)sulfanyl-4-isopropyl-1-methyl-imidazol-2-yl]ethanone

Structural Information

Molecular Formula
C15H16Cl2N2OS
SMILES
CC(C)C1=C(N(C(=N1)C(=O)C)C)SC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H16Cl2N2OS/c1-8(2)13-15(19(4)14(18-13)9(3)20)21-12-6-10(16)5-11(17)7-12/h5-8H,1-4H3
InChIKey
BJSCUCYSTUODKE-UHFFFAOYSA-N
Compound name
1-[5-(3,5-dichlorophenyl)sulfanyl-1-methyl-4-propan-2-ylimidazol-2-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.03604 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.04332 173.5
[M+Na]+ 365.02526 184.8
[M-H]- 341.02876 178.4
[M+NH4]+ 360.06986 188.9
[M+K]+ 380.99920 178.2
[M+H-H2O]+ 325.03330 167.4
[M+HCOO]- 387.03424 179.2
[M+CH3COO]- 401.04989 210.4
[M+Na-2H]- 363.01071 168.7
[M]+ 342.03549 181.3
[M]- 342.03659 181.3
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.