CID 3054902

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

Structural Information

Molecular Formula
C24H20Cl2N2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)OCOC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H20Cl2N2O2/c25-20-8-11-22(23(26)14-20)24(15-28-13-12-27-16-28)30-17-29-21-9-6-19(7-10-21)18-4-2-1-3-5-18/h1-14,16,24H,15,17H2
InChIKey
SNUPHUAJQNGPIF-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-[(4-phenylphenoxy)methoxy]ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.09018 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.09746 202.6
[M+Na]+ 461.07940 210.3
[M-H]- 437.08290 211.3
[M+NH4]+ 456.12400 211.4
[M+K]+ 477.05334 202.1
[M+H-H2O]+ 421.08744 190.7
[M+HCOO]- 483.08838 213.4
[M+CH3COO]- 497.10403 211.1
[M+Na-2H]- 459.06485 202.3
[M]+ 438.08963 208.3
[M]- 438.09073 208.3
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.