CID 9579039

Chembl359013

Structural Information

Molecular Formula
C19H15F4N3O
SMILES
C/C(=N\OC(CN1C=CN=C1)C2=C(C=C(C=C2)F)F)/C3=C(C=CC(=C3)F)F
InChI
InChI=1S/C19H15F4N3O/c1-12(16-8-13(20)3-5-17(16)22)25-27-19(10-26-7-6-24-11-26)15-4-2-14(21)9-18(15)23/h2-9,11,19H,10H2,1H3/b25-12+
InChIKey
CWMCYONUNTVQBN-BRJLIKDPSA-N
Compound name
(E)-1-(2,5-difluorophenyl)-N-[1-(2,4-difluorophenyl)-2-imidazol-1-ylethoxy]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.1151 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.12238 184.6
[M+Na]+ 400.10432 193.3
[M-H]- 376.10782 188.4
[M+NH4]+ 395.14892 195.7
[M+K]+ 416.07826 187.1
[M+H-H2O]+ 360.11236 170.5
[M+HCOO]- 422.11330 203.3
[M+CH3COO]- 436.12895 222.9
[M+Na-2H]- 398.08977 183.0
[M]+ 377.11455 182.6
[M]- 377.11565 182.6
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.