CID 3007508

Chembl26270

Structural Information

Molecular Formula
C22H22Cl2N2O2
SMILES
CC(=C(C1=C(C=CC(=C1)Cl)OCCCOC2=CC=C(C=C2)Cl)N3C=CN=C3)C
InChI
InChI=1S/C22H22Cl2N2O2/c1-16(2)22(26-11-10-25-15-26)20-14-18(24)6-9-21(20)28-13-3-12-27-19-7-4-17(23)5-8-19/h4-11,14-15H,3,12-13H2,1-2H3
InChIKey
IWKXCFWFBCOZNN-UHFFFAOYSA-N
Compound name
1-[1-[5-chloro-2-[3-(4-chlorophenoxy)propoxy]phenyl]-2-methylprop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

416.10583 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.11311 197.9
[M+Na]+ 439.09505 205.5
[M-H]- 415.09855 203.9
[M+NH4]+ 434.13965 208.3
[M+K]+ 455.06899 197.9
[M+H-H2O]+ 399.10309 187.8
[M+HCOO]- 461.10403 207.7
[M+CH3COO]- 475.11968 221.9
[M+Na-2H]- 437.08050 195.6
[M]+ 416.10528 204.3
[M]- 416.10638 204.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.