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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.24138 189.4
[M+Na]+ 408.22332 194.6
[M-H]- 384.22682 189.1
[M+NH4]+ 403.26792 204.5
[M+K]+ 424.19726 189.3
[M+H-H2O]+ 368.23136 180.6
[M+HCOO]- 430.23230 203.7
[M+CH3COO]- 444.24795 222.5
[M+Na-2H]- 406.20877 189.4
[M]+ 385.23355 183.8
[M]- 385.23465 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.