CID 3059379

76352-07-3

Structural Information

Molecular Formula
C24H25ClF3N3O3
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4)Cl)NC(=O)C(F)(F)F
InChI
InChI=1S/C24H25ClF3N3O3/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
OSVIHTZBUAFUKF-UHFFFAOYSA-N
Compound name
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-5-chloro-2-methoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.15366 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.16094 215.1
[M+Na]+ 518.14288 219.9
[M-H]- 494.14638 218.2
[M+NH4]+ 513.18748 224.2
[M+K]+ 534.11682 213.2
[M+H-H2O]+ 478.15092 204.2
[M+HCOO]- 540.15186 222.3
[M+CH3COO]- 554.16751 242.8
[M+Na-2H]- 516.12833 212.5
[M]+ 495.15311 212.5
[M]- 495.15421 212.5
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.