CID 6366203

Brn 6520449

Structural Information

Molecular Formula
C15H17F3N2O
SMILES
CN1CCN(CC1)C(=O)/C=C/C2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C15H17F3N2O/c1-19-7-9-20(10-8-19)14(21)6-5-12-3-2-4-13(11-12)15(16,17)18/h2-6,11H,7-10H2,1H3/b6-5+
InChIKey
XYYRRZQADSBLMU-AATRIKPKSA-N
Compound name
(E)-1-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.1293 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13658 172.7
[M+Na]+ 321.11852 181.0
[M+NH4]+ 316.16312 176.8
[M+K]+ 337.09246 175.3
[M-H]- 297.12202 169.8
[M+Na-2H]- 319.10397 175.8
[M]+ 298.12875 172.6
[M]- 298.12985 172.6
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.