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]+ 319.201616 176.2
[M+Na]+ 341.183558 179.4
[M-H]- 317.187064 179.6
[M+NH4]+ 336.228163 189.0
[M+K]+ 357.157498 175.7
[M+H-H2O]+ 301.191600 167.5
[M+HCOO]- 363.192541 189.6
[M+CH3COO]- 377.208191 209.2
[M+Na-2H]- 339.169006 176.5
[M]+ 318.19379142 170.7
[M]- 318.19488858 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.