CID 3068268

83337-43-3

Structural Information

Molecular Formula
C18H16Cl2N2OS
SMILES
C1=CC=C(C=C1)SCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C18H16Cl2N2OS/c19-14-6-7-16(17(20)10-14)18(23,11-22-9-8-21-13-22)12-24-15-4-2-1-3-5-15/h1-10,13,23H,11-12H2
InChIKey
LPWNVNOCOMWRHE-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-phenylsulfanylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

378.03604 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.04332 185.3
[M+Na]+ 401.02526 194.6
[M-H]- 377.02876 190.9
[M+NH4]+ 396.06986 197.6
[M+K]+ 416.99920 186.3
[M+H-H2O]+ 361.03330 177.4
[M+HCOO]- 423.03424 190.4
[M+CH3COO]- 437.04989 194.8
[M+Na-2H]- 399.01071 185.7
[M]+ 378.03549 190.2
[M]- 378.03659 190.2
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