CID 3059365

76351-95-6

Structural Information

Molecular Formula
C22H25BrFN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC(=CC=C4)F)Br)N
InChI
InChI=1S/C22H25BrFN3O2/c1-29-21-11-20(25)19(23)10-18(21)22(28)26-15-8-16-5-6-17(9-15)27(16)12-13-3-2-4-14(24)7-13/h2-4,7,10-11,15-17H,5-6,8-9,12,25H2,1H3,(H,26,28)
InChIKey
XAIIPRIWQYQSAS-UHFFFAOYSA-N
Compound name
4-amino-5-bromo-N-[8-[(3-fluorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.11142 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.11870 206.9
[M+Na]+ 484.10064 214.3
[M-H]- 460.10414 214.6
[M+NH4]+ 479.14524 220.3
[M+K]+ 500.07458 201.1
[M+H-H2O]+ 444.10868 202.8
[M+HCOO]- 506.10962 220.5
[M+CH3COO]- 520.12527 215.8
[M+Na-2H]- 482.08609 205.1
[M]+ 461.11087 221.4
[M]- 461.11197 221.4
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.