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 190.6
[M+Na]+ 431.03582 199.8
[M-H]- 407.03932 197.5
[M+NH4]+ 426.08042 202.4
[M+K]+ 447.00976 192.8
[M+H-H2O]+ 391.04386 182.0
[M+HCOO]- 453.04480 197.6
[M+CH3COO]- 467.06045 200.3
[M+Na-2H]- 429.02127 188.6
[M]+ 408.04605 199.4
[M]- 408.04715 199.4
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.