CID 9579036

Chembl1190661

Structural Information

Molecular Formula
C18H13F4N3O
SMILES
C1=CC(=C(C=C1F)F)/C=N/OC(CN2C=CN=C2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C18H13F4N3O/c19-13-2-1-12(16(21)7-13)9-24-26-18(10-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-9,11,18H,10H2/b24-9+
InChIKey
GAVMQDYZFUKOSJ-PGGKNCGUSA-N
Compound name
(E)-1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.0995 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.10678 179.9
[M+Na]+ 386.08872 189.4
[M-H]- 362.09222 183.7
[M+NH4]+ 381.13332 191.7
[M+K]+ 402.06266 182.9
[M+H-H2O]+ 346.09676 165.8
[M+HCOO]- 408.09770 199.9
[M+CH3COO]- 422.11335 219.1
[M+Na-2H]- 384.07417 180.0
[M]+ 363.09895 178.1
[M]- 363.10005 178.1
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.