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 168.8
[M+Na]+ 321.11852 174.9
[M-H]- 297.12202 167.9
[M+NH4]+ 316.16312 181.0
[M+K]+ 337.09246 169.9
[M+H-H2O]+ 281.12656 157.5
[M+HCOO]- 343.12750 180.6
[M+CH3COO]- 357.14315 201.4
[M+Na-2H]- 319.10397 169.6
[M]+ 298.12875 161.0
[M]- 298.12985 161.0
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.