CID 505953

Chembl307998

Structural Information

Molecular Formula
C17H24N2O2
SMILES
C[C@@H]1CCC[C@H]2N1CC[C@@H](C2)NC(=O)C3=CC=CC=C3O
InChI
InChI=1S/C17H24N2O2/c1-12-5-4-6-14-11-13(9-10-19(12)14)18-17(21)15-7-2-3-8-16(15)20/h2-3,7-8,12-14,20H,4-6,9-11H2,1H3,(H,18,21)/t12-,13+,14-/m1/s1
InChIKey
AVAGTMLUGRASBD-HZSPNIEDSA-N
Compound name
N-[(2S,6R,9aR)-6-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-2-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

288.18378 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.19106 168.7
[M+Na]+ 311.17300 171.6
[M-H]- 287.17650 171.9
[M+NH4]+ 306.21760 182.5
[M+K]+ 327.14694 167.3
[M+H-H2O]+ 271.18104 160.1
[M+HCOO]- 333.18198 182.3
[M+CH3COO]- 347.19763 202.7
[M+Na-2H]- 309.15845 170.0
[M]+ 288.18323 160.9
[M]- 288.18433 160.9
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.