CID 3054900

1-beta-(4-methylthiophenoxymethoxy-2,4-dichlorphenaethyl)-imidazol-nitrat [german]

Structural Information

Molecular Formula
C19H18Cl2N2O2S
SMILES
CSC1=CC=C(C=C1)OCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H18Cl2N2O2S/c1-26-16-5-3-15(4-6-16)24-13-25-19(11-23-9-8-22-12-23)17-7-2-14(20)10-18(17)21/h2-10,12,19H,11,13H2,1H3
InChIKey
OZPGIZQCIAKRPO-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-[(4-methylsulfanylphenoxy)methoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.0466 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.05388 193.3
[M+Na]+ 431.03582 209.3
[M+NH4]+ 426.08042 201.6
[M+K]+ 447.00976 199.3
[M-H]- 407.03932 198.5
[M+Na-2H]- 429.02127 202.1
[M]+ 408.04605 198.3
[M]- 408.04715 198.3
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.