CID 6479452

Chembl30229

Structural Information

Molecular Formula
C18H15ClN2O
SMILES
COC1=C(C=C(C=C1)Cl)/C(=C/C2=CC=CC=C2)/N3C=CN=C3
InChI
InChI=1S/C18H15ClN2O/c1-22-18-8-7-15(19)12-16(18)17(21-10-9-20-13-21)11-14-5-3-2-4-6-14/h2-13H,1H3/b17-11-
InChIKey
BLOONDMAYXJDEF-BOPFTXTBSA-N
Compound name
1-[(Z)-1-(5-chloro-2-methoxyphenyl)-2-phenylethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.08728 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09456 172.0
[M+Na]+ 333.07650 180.7
[M-H]- 309.08000 179.0
[M+NH4]+ 328.12110 186.2
[M+K]+ 349.05044 173.7
[M+H-H2O]+ 293.08454 162.2
[M+HCOO]- 355.08548 189.1
[M+CH3COO]- 369.10113 183.2
[M+Na-2H]- 331.06195 174.3
[M]+ 310.08673 174.5
[M]- 310.08783 174.5
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.