CID 3059389

76352-16-4

Structural Information

Molecular Formula
C20H24ClN3O3
SMILES
COC1=CC(=C(C=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CO4)Cl)N
InChI
InChI=1S/C20H24ClN3O3/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
ALWXXPBCPWBWHH-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-N-[8-(furan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1506 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.15788 190.9
[M+Na]+ 412.13982 201.0
[M+NH4]+ 407.18442 198.3
[M+K]+ 428.11376 198.4
[M-H]- 388.14332 196.5
[M+Na-2H]- 410.12527 193.4
[M]+ 389.15005 193.9
[M]- 389.15115 193.9
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.