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]+ 352.178636 183.8
[M+Na]+ 374.160578 187.5
[M-H]- 350.164084 187.8
[M+NH4]+ 369.205183 196.3
[M+K]+ 390.134518 182.1
[M+H-H2O]+ 334.168620 175.4
[M+HCOO]- 396.169561 194.4
[M+CH3COO]- 410.185211 217.6
[M+Na-2H]- 372.146026 183.4
[M]+ 351.17081142 179.4
[M]- 351.17190858 179.4
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.