CID 9579042

Chembl435219

Structural Information

Molecular Formula
C19H16F3N3O
SMILES
C/C(=N\OC(CN1C=CN=C1)C2=C(C=C(C=C2)F)F)/C3=CC=C(C=C3)F
InChI
InChI=1S/C19H16F3N3O/c1-13(14-2-4-15(20)5-3-14)24-26-19(11-25-9-8-23-12-25)17-7-6-16(21)10-18(17)22/h2-10,12,19H,11H2,1H3/b24-13+
InChIKey
FAKZQKXGNRHBCV-ZMOGYAJESA-N
Compound name
(E)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]-1-(4-fluorophenyl)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

359.12454 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13182 181.5
[M+Na]+ 382.11376 189.2
[M-H]- 358.11726 186.3
[M+NH4]+ 377.15836 193.1
[M+K]+ 398.08770 183.5
[M+H-H2O]+ 342.12180 168.1
[M+HCOO]- 404.12274 201.3
[M+CH3COO]- 418.13839 219.0
[M+Na-2H]- 380.09921 181.3
[M]+ 359.12399 180.1
[M]- 359.12509 180.1
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.