CID 24845306

93798-95-9

Structural Information

Molecular Formula
C20H28F3N3O
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC=C(C=C2)C(F)(F)F)C
InChI
InChI=1S/C20H28F3N3O/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/h6-9,12,24,26H,5,10-11,13H2,1-4H3,(H,25,27)
InChIKey
AOKUNKZPHGVVEQ-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.21844 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.22572 187.8
[M+Na]+ 406.20766 193.1
[M+NH4]+ 401.25226 193.4
[M+K]+ 422.18160 186.5
[M-H]- 382.21116 185.2
[M+Na-2H]- 404.19311 192.4
[M]+ 383.21789 187.6
[M]- 383.21899 187.6
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.