CID 6479459

Chembl3349419

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
C/C=C(\C1=CC=CC=C1OC(C)C2=CC(=CC=C2)Cl)/N3C=CN=C3
InChI
InChI=1S/C20H19ClN2O/c1-3-19(23-12-11-22-14-23)18-9-4-5-10-20(18)24-15(2)16-7-6-8-17(21)13-16/h3-15H,1-2H3/b19-3+
InChIKey
BOLHNCIMSMWFJJ-QBROUFQSSA-N
Compound name
1-[(E)-1-[2-[1-(3-chlorophenyl)ethoxy]phenyl]prop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.1186 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 180.7
[M+Na]+ 361.10782 188.2
[M-H]- 337.11132 187.5
[M+NH4]+ 356.15242 193.6
[M+K]+ 377.08176 181.3
[M+H-H2O]+ 321.11586 170.7
[M+HCOO]- 383.11680 196.2
[M+CH3COO]- 397.13245 190.9
[M+Na-2H]- 359.09327 180.8
[M]+ 338.11805 183.4
[M]- 338.11915 183.4
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.