CID 3068176

83130-61-4

Structural Information

Molecular Formula
C22H25ClFN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC(=CC=C4)F)Cl)N
InChI
InChI=1S/C22H25ClFN3O2/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
AVCIRSAYBVBOSV-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-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

417.16193 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.16921 197.9
[M+Na]+ 440.15115 208.8
[M+NH4]+ 435.19575 205.0
[M+K]+ 456.12509 202.8
[M-H]- 416.15465 201.9
[M+Na-2H]- 438.13660 201.5
[M]+ 417.16138 200.6
[M]- 417.16248 200.6
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.