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 193.7
[M+Na]+ 412.13982 199.6
[M-H]- 388.14332 201.7
[M+NH4]+ 407.18442 207.7
[M+K]+ 428.11376 195.1
[M+H-H2O]+ 372.14786 186.5
[M+HCOO]- 434.14880 207.1
[M+CH3COO]- 448.16445 202.9
[M+Na-2H]- 410.12527 191.3
[M]+ 389.15005 195.1
[M]- 389.15115 195.1
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.