CID 3007504

Chembl25757

Structural Information

Molecular Formula
C20H17Cl3N2O
SMILES
CC(=C(C1=C(C=CC(=C1)Cl)OCC2=CC(=C(C=C2)Cl)Cl)N3C=CN=C3)C
InChI
InChI=1S/C20H17Cl3N2O/c1-13(2)20(25-8-7-24-12-25)16-10-15(21)4-6-19(16)26-11-14-3-5-17(22)18(23)9-14/h3-10,12H,11H2,1-2H3
InChIKey
PFBZQHLGVCDSLX-UHFFFAOYSA-N
Compound name
1-[1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]-2-methylprop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.04065 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.04793 191.6
[M+Na]+ 429.02987 200.9
[M-H]- 405.03337 196.7
[M+NH4]+ 424.07447 202.8
[M+K]+ 445.00381 192.6
[M+H-H2O]+ 389.03791 182.3
[M+HCOO]- 451.03885 196.2
[M+CH3COO]- 465.05450 200.4
[M+Na-2H]- 427.01532 188.5
[M]+ 406.04010 196.5
[M]- 406.04120 196.5
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.