CID 3007507

Chembl30138

Structural Information

Molecular Formula
C22H23ClN2O2
SMILES
CC(=C(C1=CC=CC=C1OCCCOC2=CC=C(C=C2)Cl)N3C=CN=C3)C
InChI
InChI=1S/C22H23ClN2O2/c1-17(2)22(25-13-12-24-16-25)20-6-3-4-7-21(20)27-15-5-14-26-19-10-8-18(23)9-11-19/h3-4,6-13,16H,5,14-15H2,1-2H3
InChIKey
JFOVESGGJQMCCK-UHFFFAOYSA-N
Compound name
1-[1-[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

382.1448 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15208 192.6
[M+Na]+ 405.13402 198.9
[M-H]- 381.13752 199.0
[M+NH4]+ 400.17862 203.6
[M+K]+ 421.10796 192.3
[M+H-H2O]+ 365.14206 182.0
[M+HCOO]- 427.14300 207.6
[M+CH3COO]- 441.15865 216.8
[M+Na-2H]- 403.11947 191.7
[M]+ 382.14425 197.3
[M]- 382.14535 197.3
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.