CID 505960

Chembl419259

Structural Information

Molecular Formula
C18H26N2O3
SMILES
C[C@@H]1CCC[C@H]2N1CC[C@@H](C2)NC(=O)C3=C(C=CC(=C3)OC)O
InChI
InChI=1S/C18H26N2O3/c1-12-4-3-5-14-10-13(8-9-20(12)14)19-18(22)16-11-15(23-2)6-7-17(16)21/h6-7,11-14,21H,3-5,8-10H2,1-2H3,(H,19,22)/t12-,13+,14-/m1/s1
InChIKey
IKSBLKJYHRDOHD-HZSPNIEDSA-N
Compound name
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-2-hydroxy-5-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 176.2
[M+Na]+ 341.18356 179.4
[M-H]- 317.18706 179.6
[M+NH4]+ 336.22816 189.0
[M+K]+ 357.15750 175.7
[M+H-H2O]+ 301.19160 167.5
[M+HCOO]- 363.19254 189.6
[M+CH3COO]- 377.20819 209.2
[M+Na-2H]- 339.16901 176.5
[M]+ 318.19379 170.7
[M]- 318.19489 170.7
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.