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 161.5
[M+Na]+ 297.11852 168.1
[M-H]- 273.12202 162.1
[M+NH4]+ 292.16312 175.9
[M+K]+ 313.09246 164.1
[M+H-H2O]+ 257.12656 151.2
[M+HCOO]- 319.12750 176.4
[M+CH3COO]- 333.14315 200.3
[M+Na-2H]- 295.10397 163.2
[M]+ 274.12875 153.4
[M]- 274.12985 153.4
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