CID 3007438

Chembl416751

Structural Information

Molecular Formula
C20H15ClF3N3O
SMILES
C=C(C1=CC=CC=C1N(CC2=CC=C(C=C2)Cl)C(=O)C(F)(F)F)N3C=CN=C3
InChI
InChI=1S/C20H15ClF3N3O/c1-14(26-11-10-25-13-26)17-4-2-3-5-18(17)27(19(28)20(22,23)24)12-15-6-8-16(21)9-7-15/h2-11,13H,1,12H2
InChIKey
ILPMYFSFRQPKGT-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-2,2,2-trifluoro-N-[2-(1-imidazol-1-ylethenyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.08557 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.09285 190.6
[M+Na]+ 428.07479 198.2
[M-H]- 404.07829 195.2
[M+NH4]+ 423.11939 201.0
[M+K]+ 444.04873 191.2
[M+H-H2O]+ 388.08283 178.0
[M+HCOO]- 450.08377 203.1
[M+CH3COO]- 464.09942 224.0
[M+Na-2H]- 426.06024 190.1
[M]+ 405.08502 189.8
[M]- 405.08612 189.8
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.