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 188.2
[M+Na]+ 406.20766 194.4
[M-H]- 382.21116 188.3
[M+NH4]+ 401.25226 203.5
[M+K]+ 422.18160 188.9
[M+H-H2O]+ 366.21570 179.3
[M+HCOO]- 428.21664 203.9
[M+CH3COO]- 442.23229 222.1
[M+Na-2H]- 404.19311 189.1
[M]+ 383.21789 184.1
[M]- 383.21899 184.1
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.