CID 3009082

Chembl4782213

Structural Information

Molecular Formula
C22H18Cl2N2O
SMILES
C1=CC=C2C=C(C=CC2=C1)COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H18Cl2N2O/c23-19-7-8-20(21(24)12-19)22(13-26-10-9-25-15-26)27-14-16-5-6-17-3-1-2-4-18(17)11-16/h1-12,15,22H,13-14H2
InChIKey
ZUXSELAXQKMNOD-UHFFFAOYSA-N
Compound name
1-[2-(2,4-dichlorophenyl)-2-(naphthalen-2-ylmethoxy)ethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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

literature stripe

Patent stripe

patents stripe