CID 3054933

71821-41-5

Structural Information

Molecular Formula
C19H17Cl3N2O2
SMILES
C1=CC(=CC=C1OCCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl
InChI
InChI=1S/C19H17Cl3N2O2/c20-14-1-4-16(5-2-14)25-9-10-26-19(12-24-8-7-23-13-24)17-6-3-15(21)11-18(17)22/h1-8,11,13,19H,9-10,12H2
InChIKey
NREXMCVIKBJIRU-UHFFFAOYSA-N
Compound name
1-[2-[2-(4-chlorophenoxy)ethoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.03555 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.04283 190.4
[M+Na]+ 433.02477 199.1
[M-H]- 409.02827 195.2
[M+NH4]+ 428.06937 201.2
[M+K]+ 448.99871 191.7
[M+H-H2O]+ 393.03281 180.6
[M+HCOO]- 455.03375 196.3
[M+CH3COO]- 469.04940 199.2
[M+Na-2H]- 431.01022 189.7
[M]+ 410.03500 197.1
[M]- 410.03610 197.1
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.