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]+ 333.21728 180.1
[M+Na]+ 355.19922 182.3
[M-H]- 331.20272 184.3
[M+NH4]+ 350.24382 192.7
[M+K]+ 371.17316 179.1
[M+H-H2O]+ 315.20726 170.5
[M+HCOO]- 377.20820 194.7
[M+CH3COO]- 391.22385 213.2
[M+Na-2H]- 353.18467 181.0
[M]+ 332.20945 176.2
[M]- 332.21055 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.