CID 3007506

Chembl286273

Structural Information

Molecular Formula
C20H18Cl2N2O
SMILES
CC(=C(C1=CC=CC=C1OCC2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3)C
InChI
InChI=1S/C20H18Cl2N2O/c1-14(2)20(24-10-9-23-13-24)17-5-3-4-6-19(17)25-12-15-7-8-16(21)11-18(15)22/h3-11,13H,12H2,1-2H3
InChIKey
BRTGQURUOZPPCN-UHFFFAOYSA-N
Compound name
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-methylprop-1-enyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.07962 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08690 186.4
[M+Na]+ 395.06884 195.1
[M-H]- 371.07234 192.7
[M+NH4]+ 390.11344 198.7
[M+K]+ 411.04278 187.2
[M+H-H2O]+ 355.07688 176.8
[M+HCOO]- 417.07782 196.7
[M+CH3COO]- 431.09347 196.2
[M+Na-2H]- 393.05429 185.1
[M]+ 372.07907 190.8
[M]- 372.08017 190.8
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.