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]+ 439.097456 202.6
[M+Na]+ 461.079398 210.3
[M-H]- 437.082904 211.3
[M+NH4]+ 456.124003 211.4
[M+K]+ 477.053338 202.1
[M+H-H2O]+ 421.087440 190.7
[M+HCOO]- 483.088381 213.4
[M+CH3COO]- 497.104031 211.1
[M+Na-2H]- 459.064846 202.3
[M]+ 438.08963142 208.3
[M]- 438.09072858 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.