CID 487078

Chembl4778194

Structural Information

Molecular Formula
C22H18Cl2N2O
SMILES
C1=CC=C2C(=C1)C=CC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H18Cl2N2O/c23-18-8-9-20(21(24)12-18)22(13-26-11-10-25-15-26)27-14-17-6-3-5-16-4-1-2-7-19(16)17/h1-12,15,22H,13-14H2
InChIKey
VZIRLMHQFQNKNN-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(naphthalen-1-ylmethoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

396.07962 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.08690 192.4
[M+Na]+ 419.06884 202.3
[M-H]- 395.07234 199.4
[M+NH4]+ 414.11344 204.5
[M+K]+ 435.04278 193.5
[M+H-H2O]+ 379.07688 181.8
[M+HCOO]- 441.07782 203.6
[M+CH3COO]- 455.09347 202.1
[M+Na-2H]- 417.05429 194.5
[M]+ 396.07907 198.8
[M]- 396.08017 198.8
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.