CID 3054931

71821-39-1

Structural Information

Molecular Formula
C19H18Cl2N2O2
SMILES
C1=CC=C(C=C1)OCCOC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C19H18Cl2N2O2/c20-15-6-7-17(18(21)12-15)19(13-23-9-8-22-14-23)25-11-10-24-16-4-2-1-3-5-16/h1-9,12,14,19H,10-11,13H2
InChIKey
ANPJRQHTWBAIPE-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(2-phenoxyethoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.07452 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.08180 185.2
[M+Na]+ 399.06374 193.1
[M-H]- 375.06724 191.0
[M+NH4]+ 394.10834 197.0
[M+K]+ 415.03768 186.2
[M+H-H2O]+ 359.07178 175.0
[M+HCOO]- 421.07272 196.7
[M+CH3COO]- 435.08837 194.8
[M+Na-2H]- 397.04919 186.2
[M]+ 376.07397 191.3
[M]- 376.07507 191.3
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.