CID 3059391

Exo-4-amino-5-chloro-2-methoxy-n-(8-(2-thenyl)-8-azabicyclo(3.2.1)oct-3-yl)benzamide

Structural Information

Molecular Formula
C20H24ClN3O2S
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CS4)Cl)N
InChI
InChI=1S/C20H24ClN3O2S/c1-26-19-10-18(22)17(21)9-16(19)20(25)23-12-7-13-4-5-14(8-12)24(13)11-15-3-2-6-27-15/h2-3,6,9-10,12-14H,4-5,7-8,11,22H2,1H3,(H,23,25)
InChIKey
BCEZTBZSKVNZQI-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-N-[8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.12778 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.13506 192.5
[M+Na]+ 428.11700 202.1
[M+NH4]+ 423.16160 200.9
[M+K]+ 444.09094 196.6
[M-H]- 404.12050 197.3
[M+Na-2H]- 426.10245 195.9
[M]+ 405.12723 195.7
[M]- 405.12833 195.7
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.