CID 6479450

Chembl1169552

Structural Information

Molecular Formula
C19H17ClN2O
SMILES
C/C=C(\C1=CC=CC=C1OCC2=CC=C(C=C2)Cl)/N3C=CN=C3
InChI
InChI=1S/C19H17ClN2O/c1-2-18(22-12-11-21-14-22)17-5-3-4-6-19(17)23-13-15-7-9-16(20)10-8-15/h2-12,14H,13H2,1H3/b18-2+
InChIKey
HKMHFDDKYGODMY-LPRJTOQXSA-N
Compound name
1-[(E)-1-[2-[(4-chlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.10294 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11022 176.6
[M+Na]+ 347.09216 184.8
[M-H]- 323.09566 183.4
[M+NH4]+ 342.13676 190.1
[M+K]+ 363.06610 177.6
[M+H-H2O]+ 307.10020 166.6
[M+HCOO]- 369.10114 193.3
[M+CH3COO]- 383.11679 187.3
[M+Na-2H]- 345.07761 178.3
[M]+ 324.10239 179.4
[M]- 324.10349 179.4
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.