CID 3059378

76352-06-2

Structural Information

Molecular Formula
C24H25BrF3N3O3
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)Br)NC(=O)C(F)(F)F
InChI
InChI=1S/C24H25BrF3N3O3/c1-34-21-12-20(30-23(33)24(26,27)28)19(25)11-18(21)22(32)29-15-9-16-7-8-17(10-15)31(16)13-14-5-3-2-4-6-14/h2-6,11-12,15-17H,7-10,13H2,1H3,(H,29,32)(H,30,33)
InChIKey
JCHMDCXVBBMOAS-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-bromo-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

539.10315 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 540.11043 225.0
[M+Na]+ 562.09237 230.8
[M-H]- 538.09587 230.1
[M+NH4]+ 557.13697 235.0
[M+K]+ 578.06631 218.1
[M+H-H2O]+ 522.10041 219.4
[M+HCOO]- 584.10135 234.3
[M+CH3COO]- 598.11700 245.2
[M+Na-2H]- 560.07782 222.8
[M]+ 539.10260 237.9
[M]- 539.10370 237.9
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.