CID 52374

73747-54-3

Structural Information

Molecular Formula
C17H23F3N2O
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCC(=O)N2CCCCC2
InChI
InChI=1S/C17H23F3N2O/c1-13(21-12-16(23)22-8-3-2-4-9-22)10-14-6-5-7-15(11-14)17(18,19)20/h5-7,11,13,21H,2-4,8-10,12H2,1H3
InChIKey
UVWOBICVJRBABL-UHFFFAOYSA-N
Compound name
1-piperidin-1-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.17624 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18352 177.4
[M+Na]+ 351.16546 180.1
[M-H]- 327.16896 177.0
[M+NH4]+ 346.21006 189.0
[M+K]+ 367.13940 175.9
[M+H-H2O]+ 311.17350 166.1
[M+HCOO]- 373.17444 189.7
[M+CH3COO]- 387.19009 210.8
[M+Na-2H]- 349.15091 177.1
[M]+ 328.17569 168.8
[M]- 328.17679 168.8
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

No patent data available for this compound.