CID 24845415

93798-96-0

Structural Information

Molecular Formula

C₂₀H₃₀F₃N₃O

SMILES

CC1(CC(C(N1)(C)C)C(=O)NCCCNCC2=CC=C(C=C2)C(F)(F)F)C

InChI

InChI=1S/C20H30F3N3O/c1-18(2)12-16(19(3,4)26-18)17(27)25-11-5-10-24-13-14-6-8-15(9-7-14)20(21,22)23/h6-9,16,24,26H,5,10-13H2,1-4H3,(H,25,27)

InChIKey

BDRXSEWDYMWQHC-UHFFFAOYSA-N

Compound name

2,2,5,5-tetramethyl-N-[3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]pyrrolidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 385.2341 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	386.241376	189.4
[M+Na]+	408.223318	194.6
[M-H]-	384.226824	189.1
[M+NH4]+	403.267923	204.5
[M+K]+	424.197258	189.3
[M+H-H2O]+	368.231360	180.6
[M+HCOO]-	430.232301	203.7
[M+CH3COO]-	444.247951	222.5
[M+Na-2H]-	406.208766	189.4
[M]+	385.23355142	183.8
[M]-	385.23464858	183.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.