CID 3068270

2-(2,4-dichlorophenyl)-1-(imidazol-1-yl)-3-(4-methoxyphenylthio)-2-propanol

Structural Information

Molecular Formula
C19H18Cl2N2O2S
SMILES
COC1=CC=C(C=C1)SCC(CN2C=CN=C2)(C3=C(C=C(C=C3)Cl)Cl)O
InChI
InChI=1S/C19H18Cl2N2O2S/c1-25-15-3-5-16(6-4-15)26-12-19(24,11-23-9-8-22-13-23)17-7-2-14(20)10-18(17)21/h2-10,13,24H,11-12H2,1H3
InChIKey
BKTMNCHXZBLYMS-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-(4-methoxyphenyl)sulfanylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.0466 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.05388 196.3
[M+Na]+ 431.03582 211.7
[M+NH4]+ 426.08042 204.1
[M+K]+ 447.00976 202.3
[M-H]- 407.03932 200.5
[M+Na-2H]- 429.02127 204.6
[M]+ 408.04605 201.0
[M]- 408.04715 201.0
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.