CID 3059358

76351-88-7

Structural Information

Molecular Formula
C22H25BrFN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=C(C=C4)F)Br)N
InChI
InChI=1S/C22H25BrFN3O2/c1-29-21-11-20(25)19(23)10-18(21)22(28)26-15-8-16-6-7-17(9-15)27(16)12-13-2-4-14(24)5-3-13/h2-5,10-11,15-17H,6-9,12,25H2,1H3,(H,26,28)
InChIKey
JBHBLEJIGMJDAA-UHFFFAOYSA-N
Compound name
4-amino-5-bromo-N-[8-[(4-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 208.3
[M+Na]+ 484.10064 208.8
[M+NH4]+ 479.14524 211.2
[M+K]+ 500.07458 208.8
[M-H]- 460.10414 210.1
[M+Na-2H]- 482.08609 207.6
[M]+ 461.11087 207.4
[M]- 461.11197 207.4
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.