CID 3075348

4-amino-5-chloro-n-(1-lupinyl)-2-methoxybenzamide

Structural Information

Molecular Formula
C18H26ClN3O2
SMILES
COC1=CC(=C(C=C1C(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3)Cl)N
InChI
InChI=1S/C18H26ClN3O2/c1-24-17-10-15(20)14(19)9-13(17)18(23)21-11-12-5-4-8-22-7-3-2-6-16(12)22/h9-10,12,16H,2-8,11,20H2,1H3,(H,21,23)/t12-,16+/m0/s1
InChIKey
NRDFDFBBHZSEKP-BLLLJJGKSA-N
Compound name
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-4-amino-5-chloro-2-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.17136 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17864 182.3
[M+Na]+ 374.16058 192.8
[M+NH4]+ 369.20518 190.0
[M+K]+ 390.13452 185.6
[M-H]- 350.16408 186.7
[M+Na-2H]- 372.14603 186.3
[M]+ 351.17081 185.0
[M]- 351.17191 185.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.