CID 3068288

83337-92-2

Structural Information

Molecular Formula
C20H20Cl2N2O2S
SMILES
C1=CC=C(C=C1)SCCOCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C20H20Cl2N2O2S/c21-16-6-7-18(19(22)12-16)20(25,13-24-9-8-23-15-24)14-26-10-11-27-17-4-2-1-3-5-17/h1-9,12,15,25H,10-11,13-14H2
InChIKey
UKKHNPAWUNGAQH-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(2-phenylsulfanylethoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.06226 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.06954 200.1
[M+Na]+ 445.05148 214.9
[M+NH4]+ 440.09608 207.8
[M+K]+ 461.02542 205.2
[M-H]- 421.05498 204.2
[M+Na-2H]- 443.03693 208.4
[M]+ 422.06171 204.6
[M]- 422.06281 204.6
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.