CID 3068275

83337-55-7

Structural Information

Molecular Formula
C15H18Cl2N2OS
SMILES
CC(C)SCC(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O
InChI
InChI=1S/C15H18Cl2N2OS/c1-11(2)21-9-15(20,8-19-6-5-18-10-19)13-4-3-12(16)7-14(13)17/h3-7,10-11,20H,8-9H2,1-2H3
InChIKey
ZIRZRUZOTKTANR-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-propan-2-ylsulfanylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.0517 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05898 176.8
[M+Na]+ 367.04092 185.5
[M-H]- 343.04442 179.5
[M+NH4]+ 362.08552 190.9
[M+K]+ 383.01486 178.7
[M+H-H2O]+ 327.04896 170.3
[M+HCOO]- 389.04990 180.4
[M+CH3COO]- 403.06555 204.8
[M+Na-2H]- 365.02637 175.4
[M]+ 344.05115 182.3
[M]- 344.05225 182.3
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

patents stripe