CID 3056719

73826-20-7

Structural Information

Molecular Formula
C18H25F3N2O
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NC(=O)CCN2CCCCC2
InChI
InChI=1S/C18H25F3N2O/c1-14(12-15-6-5-7-16(13-15)18(19,20)21)22-17(24)8-11-23-9-3-2-4-10-23/h5-7,13-14H,2-4,8-12H2,1H3,(H,22,24)
InChIKey
QBLILIXDAZMDNA-UHFFFAOYSA-N
Compound name
3-piperidin-1-yl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.1919 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19918 181.9
[M+Na]+ 365.18112 184.2
[M-H]- 341.18462 181.4
[M+NH4]+ 360.22572 192.9
[M+K]+ 381.15506 179.7
[M+H-H2O]+ 325.18916 170.4
[M+HCOO]- 387.19010 193.9
[M+CH3COO]- 401.20575 213.7
[M+Na-2H]- 363.16657 181.1
[M]+ 342.19135 173.7
[M]- 342.19245 173.7
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.