CID 67315928

1020662-91-2

Structural Information

Molecular Formula
C13H17F3N2O
SMILES
CN1CCC(CC1)OC2=CC(=CC(=C2)N)C(F)(F)F
InChI
InChI=1S/C13H17F3N2O/c1-18-4-2-11(3-5-18)19-12-7-9(13(14,15)16)6-10(17)8-12/h6-8,11H,2-5,17H2,1H3
InChIKey
QGTLAVDLEJHEKR-UHFFFAOYSA-N
Compound name
3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

274.1293 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13658 164.2
[M+Na]+ 297.11852 172.4
[M+NH4]+ 292.16312 169.4
[M+K]+ 313.09246 167.1
[M-H]- 273.12202 162.9
[M+Na-2H]- 295.10397 168.0
[M]+ 274.12875 164.6
[M]- 274.12985 164.6
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