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 200.3
[M+Na]+ 440.15115 206.5
[M-H]- 416.15465 205.8
[M+NH4]+ 435.19575 212.8
[M+K]+ 456.12509 199.3
[M+H-H2O]+ 400.15919 190.8
[M+HCOO]- 462.16013 211.8
[M+CH3COO]- 476.17578 208.2
[M+Na-2H]- 438.13660 197.5
[M]+ 417.16138 198.9
[M]- 417.16248 198.9
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.