CID 6479467

Chembl3349423

Structural Information

Molecular Formula
C21H22ClN3O
SMILES
CN(C)C/C=C(\C1=CC=CC=C1OCC2=CC=C(C=C2)Cl)/N3C=CN=C3
InChI
InChI=1S/C21H22ClN3O/c1-24(2)13-11-20(25-14-12-23-16-25)19-5-3-4-6-21(19)26-15-17-7-9-18(22)10-8-17/h3-12,14,16H,13,15H2,1-2H3/b20-11+
InChIKey
ISWGRZIXFXZLRY-RGVLZGJSSA-N
Compound name
(E)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-3-imidazol-1-yl-N,N-dimethylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.14514 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.15242 189.4
[M+Na]+ 390.13436 195.8
[M-H]- 366.13786 197.2
[M+NH4]+ 385.17896 201.4
[M+K]+ 406.10830 189.5
[M+H-H2O]+ 350.14240 178.4
[M+HCOO]- 412.14334 207.0
[M+CH3COO]- 426.15899 219.3
[M+Na-2H]- 388.11981 189.9
[M]+ 367.14459 193.5
[M]- 367.14569 193.5
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.