CID 3075347

N-(1-lupinyl)-2,6-dimethoxybenzamide

Structural Information

Molecular Formula
C19H28N2O3
SMILES
COC1=C(C(=CC=C1)OC)C(=O)NC[C@@H]2CCCN3[C@@H]2CCCC3
InChI
InChI=1S/C19H28N2O3/c1-23-16-9-5-10-17(24-2)18(16)19(22)20-13-14-7-6-12-21-11-4-3-8-15(14)21/h5,9-10,14-15H,3-4,6-8,11-13H2,1-2H3,(H,20,22)/t14-,15+/m0/s1
InChIKey
KIVLBIDLOHPIKI-LSDHHAIUSA-N
Compound name
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2,6-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.21 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.217276 180.1
[M+Na]+ 355.199218 182.3
[M-H]- 331.202724 184.3
[M+NH4]+ 350.243823 192.7
[M+K]+ 371.173158 179.1
[M+H-H2O]+ 315.207260 170.5
[M+HCOO]- 377.208201 194.7
[M+CH3COO]- 391.223851 213.2
[M+Na-2H]- 353.184666 181.0
[M]+ 332.20945142 176.2
[M]- 332.21054858 176.2
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.