CID 16770363

4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline

Structural Information

Molecular Formula
C12H16F3N3
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)N)C(F)(F)F
InChI
InChI=1S/C12H16F3N3/c1-17-4-6-18(7-5-17)9-2-3-11(16)10(8-9)12(13,14)15/h2-3,8H,4-7,16H2,1H3
InChIKey
ILGSVUPRBCGGLF-UHFFFAOYSA-N
Compound name
4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

259.12964 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.13692 160.1
[M+Na]+ 282.11886 168.6
[M+NH4]+ 277.16346 165.2
[M+K]+ 298.09280 163.4
[M-H]- 258.12236 158.5
[M+Na-2H]- 280.10431 164.1
[M]+ 259.12909 160.5
[M]- 259.13019 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe