CID 3007470

Chembl284574

Structural Information

Molecular Formula
C20H19ClN2O2
SMILES
C=C(C1=CC=CC=C1OCCCOC2=CC=C(C=C2)Cl)N3C=CN=C3
InChI
InChI=1S/C20H19ClN2O2/c1-16(23-12-11-22-15-23)19-5-2-3-6-20(19)25-14-4-13-24-18-9-7-17(21)8-10-18/h2-3,5-12,15H,1,4,13-14H2
InChIKey
XHUKEYSONGRMID-UHFFFAOYSA-N
Compound name
1-[1-[2-[3-(4-chlorophenoxy)propoxy]phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.1135 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.12078 183.6
[M+Na]+ 377.10272 191.1
[M-H]- 353.10622 190.2
[M+NH4]+ 372.14732 195.7
[M+K]+ 393.07666 184.3
[M+H-H2O]+ 337.11076 173.2
[M+HCOO]- 399.11170 200.2
[M+CH3COO]- 413.12735 210.8
[M+Na-2H]- 375.08817 184.8
[M]+ 354.11295 188.2
[M]- 354.11405 188.2
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.